# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_18a
_database_code_depnum_ccdc_archive 'CCDC 1886586'
loop_
_audit_author_name
_audit_author_address
'Tilo Soehnel'
;University of Auckland
New Zealand
;
_audit_update_record             
;
2018-12-21 deposited with the CCDC.	2019-08-29 downloaded from the CCDC.
;
_audit_creation_date             2018-12-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3510 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H28 Si2'
_chemical_formula_sum            'C34 H28 Si2'
_chemical_formula_weight         492.74
_chemical_melting_point          ?
_chemical_oxdiff_formula         C34H28Si2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.91870(10)
_cell_length_b                   12.66180(10)
_cell_length_c                   17.4771(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.3830(10)
_cell_angle_gamma                90
_cell_volume                     2632.91(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23364
_cell_measurement_temperature    99.9(5)
_cell_measurement_theta_max      74.2980
_cell_measurement_theta_min      4.3070
_shelx_estimated_absorpt_T_max   0.771
_shelx_estimated_absorpt_T_min   0.668
_exptl_absorpt_coefficient_mu    1.370
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85168
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            28300
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.735
_diffrn_reflns_theta_min         5.599
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.9(5)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     25.00 175.00   0.50    0.25    --  102.39   0.00  30.00  300
  2  ω    121.00 174.00   0.50    0.25    --  102.39 111.00 120.00  106
  3  ω     73.00 129.00   0.50    0.25    --  102.39  15.00-120.00  112
  4  ω    144.00 177.00   0.50    0.25    --  102.39  15.00-120.00   66
  5  ω    113.00 176.00   0.50    0.25    --  102.39 111.00-180.00  126
  6  ω     81.00 134.00   0.50    0.25    --  102.39  61.00-120.00  106
  7  ω      2.00  29.00   0.50    0.10    --  -47.48  38.00  60.00   54
  8  ω    -71.00  28.00   0.50    0.10    --  -47.48  77.00 120.00  198
  9  ω    -61.00 -32.00   0.50    0.25    --  -90.25  77.00   0.00   58
 10  ω   -106.00 -59.00   0.50    0.25    --  -90.25  30.00-180.00   94
 11  ω     86.00 112.00   0.50    0.25    --  102.39-111.00 120.00   52
 12  ω     41.00  70.00   0.50    0.25    --  102.39-111.00 120.00   58
 13  ω     25.00 101.00   0.50    0.25    --  102.39 -95.00  60.00  152
 14  ω     49.00  92.00   0.50    0.25    --  102.39 -95.00  90.00   86
 15  ω     24.00 104.00   0.50    0.25    --  102.39 -95.00 150.00  160
 16  ω     41.00 115.00   0.50    0.25    --  102.39-111.00 -30.00  148
 17  ω     23.00 107.00   0.50    0.25    --  102.39 -95.00 -30.00  168
 18  ω     79.00 104.00   0.50    0.25    --  102.39 -95.00-150.00   50
 19  ω    -60.00 -32.00   0.50    0.25    --  -90.25  61.00 -90.00   56
 20  ω    -50.00 -13.00   0.50    0.25    --  -90.25  30.00-180.00   74
 21  ω   -116.00 -89.00   0.50    0.25    --  -90.25  77.00   0.00   54
 22  ω    -99.00 -30.00   0.50    0.10    --  -47.48 -57.00   0.00  138
 23  ω   -123.00 -21.00   0.50    0.10    --  -47.48 -77.00 -60.00  204
 24  ω     35.00 116.00   0.50    0.25    --  102.39 -77.00 150.00  162
 25  ω     54.00 122.00   0.50    0.25    --  102.39 -61.00 150.00  136
 26  ω     24.00  53.00   0.50    0.25    --  102.39 -30.00-120.00   58
 27  ω   -164.00-128.00   0.50    0.25    --  -90.25 -45.00 -30.00   72
 28  ω   -116.00 -77.00   0.50    0.25    --  -90.25 -45.00 -30.00   78
 29  ω   -120.00 -93.00   0.50    0.10    --  -47.48-125.00  90.00   54
 30  ω   -109.00 -84.00   0.50    0.10    --  -47.48-125.00 150.00   50
 31  ω   -121.00 -95.00   0.50    0.10    --  -47.48-125.00 -60.00   52
 32  ω   -110.00 -70.00   0.50    0.10    --  -47.48-125.00-150.00   80
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0398887000
_diffrn_orient_matrix_UB_12      0.1134550000
_diffrn_orient_matrix_UB_13      -0.0154236000
_diffrn_orient_matrix_UB_21      0.0880591000
_diffrn_orient_matrix_UB_22      -0.0089634000
_diffrn_orient_matrix_UB_23      0.0678659000
_diffrn_orient_matrix_UB_31      0.0860925000
_diffrn_orient_matrix_UB_32      -0.0432315000
_diffrn_orient_matrix_UB_33      -0.0543027000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4501
_reflns_number_total             4763
_reflns_odcompleteness_completeness 99.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.62
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.330
_refine_diff_density_min         -0.272
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         4763
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0297
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0385P)²+1.3190P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0784
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32),
 C33(H33), C34(H34)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.76541(3) 0.51444(3) 0.68807(2) 0.01348(9) Uani 1 1 d . . . . .
H1A H 0.6688(13) 0.4627(12) 0.6650(9) 0.020(4) Uiso 1 1 d . . . . .
Si2 Si 0.48751(3) 0.57740(3) 0.71679(2) 0.01250(9) Uani 1 1 d . . . . .
H2A H 0.5682(13) 0.5441(13) 0.7706(9) 0.021(4) Uiso 1 1 d . . . . .
C1 C 0.79423(11) 0.38964(11) 0.82251(8) 0.0194(3) Uani 1 1 d . . . . .
H1 H 0.767657 0.334993 0.790836 0.023 Uiso 1 1 calc R . . . .
C2 C 0.82371(11) 0.36911(12) 0.89921(8) 0.0232(3) Uani 1 1 d . . . . .
H2 H 0.816549 0.301096 0.918415 0.028 Uiso 1 1 calc R . . . .
C3 C 0.86369(11) 0.44950(12) 0.94714(8) 0.0242(3) Uani 1 1 d . . . . .
H3 H 0.882949 0.435689 0.998509 0.029 Uiso 1 1 calc R . . . .
C4 C 0.87486(12) 0.55054(12) 0.91823(8) 0.0243(3) Uani 1 1 d . . . . .
H4 H 0.901944 0.604684 0.950190 0.029 Uiso 1 1 calc R . . . .
C5 C 0.84564(11) 0.57114(11) 0.84151(8) 0.0194(3) Uani 1 1 d . . . . .
H5 H 0.853932 0.639154 0.822571 0.023 Uiso 1 1 calc R . . . .
C6 C 0.80396(10) 0.49130(10) 0.79227(7) 0.0159(3) Uani 1 1 d . . . . .
C7 C 0.87821(10) 0.45358(10) 0.63156(7) 0.0160(3) Uani 1 1 d . . . . .
C8 C 0.98343(11) 0.42626(10) 0.66585(8) 0.0197(3) Uani 1 1 d . . . . .
H8 H 0.999034 0.440468 0.717588 0.024 Uiso 1 1 calc R . . . .
C9 C 1.06503(11) 0.37824(11) 0.62391(9) 0.0240(3) Uani 1 1 d . . . . .
H9 H 1.134573 0.361193 0.647629 0.029 Uiso 1 1 calc R . . . .
C10 C 1.04295(12) 0.35578(11) 0.54698(8) 0.0238(3) Uani 1 1 d . . . . .
H10 H 1.097348 0.323364 0.519033 0.029 Uiso 1 1 calc R . . . .
C11 C 0.93922(12) 0.38188(10) 0.51176(8) 0.0220(3) Uani 1 1 d . . . . .
H11 H 0.924101 0.367077 0.460055 0.026 Uiso 1 1 calc R . . . .
C12 C 0.85797(11) 0.43008(10) 0.55366(8) 0.0185(3) Uani 1 1 d . . . . .
H12 H 0.788723 0.447087 0.529480 0.022 Uiso 1 1 calc R . . . .
C13 C 0.75503(10) 0.66024(10) 0.66665(7) 0.0147(2) Uani 1 1 d . . . . .
C14 C 0.85958(11) 0.70648(11) 0.66075(7) 0.0188(3) Uani 1 1 d . . . . .
H14 H 0.923214 0.665495 0.671868 0.023 Uiso 1 1 calc R . . . .
C15 C 0.87436(11) 0.81227(11) 0.63880(8) 0.0215(3) Uani 1 1 d . . . . .
H15 H 0.945843 0.841834 0.639435 0.026 Uiso 1 1 calc R . . . .
C16 C 0.78223(11) 0.87047(11) 0.61665(7) 0.0198(3) Uani 1 1 d . . . . .
H16 H 0.791203 0.939489 0.599872 0.024 Uiso 1 1 calc R . . . .
C17 C 0.67270(11) 0.82738(10) 0.61877(7) 0.0165(3) Uani 1 1 d . . . . .
C18 C 0.65605(10) 0.72352(10) 0.64887(7) 0.0136(2) Uani 1 1 d . . . . .
C19 C 0.57997(11) 0.88919(11) 0.59072(7) 0.0201(3) Uani 1 1 d . . . . .
H19 H 0.592399 0.955728 0.570341 0.024 Uiso 1 1 calc R . . . .
C20 C 0.47290(12) 0.85229(11) 0.59327(8) 0.0215(3) Uani 1 1 d . . . . .
H20 H 0.412592 0.890910 0.571784 0.026 Uiso 1 1 calc R . . . .
C21 C 0.45530(11) 0.75455(11) 0.62905(7) 0.0185(3) Uani 1 1 d . . . . .
H21 H 0.381702 0.731847 0.633194 0.022 Uiso 1 1 calc R . . . .
C22 C 0.54144(10) 0.69037(10) 0.65840(7) 0.0141(2) Uani 1 1 d . . . . .
C23 C 0.43470(10) 0.46526(10) 0.65519(7) 0.0142(2) Uani 1 1 d . . . . .
C24 C 0.41574(11) 0.47284(11) 0.57597(7) 0.0199(3) Uani 1 1 d . . . . .
H24 H 0.433745 0.535033 0.551174 0.024 Uiso 1 1 calc R . . . .
C25 C 0.37022(12) 0.38862(12) 0.53343(8) 0.0237(3) Uani 1 1 d . . . . .
H25 H 0.358801 0.394650 0.480513 0.028 Uiso 1 1 calc R . . . .
C26 C 0.34189(11) 0.29594(11) 0.56954(8) 0.0208(3) Uani 1 1 d . . . . .
H26 H 0.311764 0.239622 0.541012 0.025 Uiso 1 1 calc R . . . .
C27 C 0.35867(10) 0.28750(10) 0.64848(8) 0.0191(3) Uani 1 1 d . . . . .
H27 H 0.338782 0.225787 0.673158 0.023 Uiso 1 1 calc R . . . .
C28 C 0.40511(10) 0.37111(10) 0.69056(7) 0.0169(3) Uani 1 1 d . . . . .
H28 H 0.416821 0.364449 0.743425 0.020 Uiso 1 1 calc R . . . .
C29 C 0.36285(10) 0.62093(10) 0.77058(7) 0.0155(3) Uani 1 1 d . . . . .
C30 C 0.25260(11) 0.60170(10) 0.74183(8) 0.0189(3) Uani 1 1 d . . . . .
H30 H 0.240468 0.568199 0.694709 0.023 Uiso 1 1 calc R . . . .
C31 C 0.16090(11) 0.63175(11) 0.78242(8) 0.0221(3) Uani 1 1 d . . . . .
H31 H 0.088376 0.618459 0.762146 0.027 Uiso 1 1 calc R . . . .
C32 C 0.17690(11) 0.68133(11) 0.85283(8) 0.0219(3) Uani 1 1 d . . . . .
H32 H 0.115502 0.702118 0.879640 0.026 Uiso 1 1 calc R . . . .
C33 C 0.28530(12) 0.69966(11) 0.88295(8) 0.0231(3) Uani 1 1 d . . . . .
H33 H 0.296739 0.732214 0.930469 0.028 Uiso 1 1 calc R . . . .
C34 C 0.37705(11) 0.66960(11) 0.84244(8) 0.0201(3) Uani 1 1 d . . . . .
H34 H 0.449315 0.682067 0.863506 0.024 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 H1A 1.365(15) . ?
Si1 C6 1.8746(13) . ?
Si1 C7 1.8798(13) . ?
Si1 C13 1.8864(13) . ?
Si2 H2A 1.372(15) . ?
Si2 C22 1.8916(13) . ?
Si2 C23 1.8686(13) . ?
Si2 C29 1.8867(13) . ?
C1 H1 0.9300 . ?
C1 C2 1.3901(19) . ?
C1 C6 1.3989(18) . ?
C2 H2 0.9300 . ?
C2 C3 1.385(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.385(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.3900(19) . ?
C5 H5 0.9300 . ?
C5 C6 1.3996(19) . ?
C7 C8 1.4009(18) . ?
C7 C12 1.4007(18) . ?
C8 H8 0.9300 . ?
C8 C9 1.3918(19) . ?
C9 H9 0.9300 . ?
C9 C10 1.384(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.388(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.3893(19) . ?
C12 H12 0.9300 . ?
C13 C14 1.3861(18) . ?
C13 C18 1.4446(17) . ?
C14 H14 0.9300 . ?
C14 C15 1.4073(19) . ?
C15 H15 0.9300 . ?
C15 C16 1.360(2) . ?
C16 H16 0.9300 . ?
C16 C17 1.4174(18) . ?
C17 C18 1.4346(18) . ?
C17 C19 1.4179(19) . ?
C18 C22 1.4479(17) . ?
C19 H19 0.9300 . ?
C19 C20 1.362(2) . ?
C20 H20 0.9300 . ?
C20 C21 1.4079(19) . ?
C21 H21 0.9300 . ?
C21 C22 1.3839(18) . ?
C23 C24 1.3928(18) . ?
C23 C28 1.3977(18) . ?
C24 H24 0.9300 . ?
C24 C25 1.392(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.384(2) . ?
C26 H26 0.9300 . ?
C26 C27 1.3865(19) . ?
C27 H27 0.9300 . ?
C27 C28 1.3857(18) . ?
C28 H28 0.9300 . ?
C29 C30 1.4002(18) . ?
C29 C34 1.4003(18) . ?
C30 H30 0.9300 . ?
C30 C31 1.3908(19) . ?
C31 H31 0.9300 . ?
C31 C32 1.385(2) . ?
C32 H32 0.9300 . ?
C32 C33 1.386(2) . ?
C33 H33 0.9300 . ?
C33 C34 1.3904(19) . ?
C34 H34 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 Si1 H1A 111.5(6) . . ?
C6 Si1 C7 107.72(6) . . ?
C6 Si1 C13 110.80(6) . . ?
C7 Si1 H1A 105.4(6) . . ?
C7 Si1 C13 109.72(6) . . ?
C13 Si1 H1A 111.5(7) . . ?
C22 Si2 H2A 110.9(7) . . ?
C23 Si2 H2A 111.1(7) . . ?
C23 Si2 C22 112.17(5) . . ?
C23 Si2 C29 105.11(5) . . ?
C29 Si2 H2A 106.8(6) . . ?
C29 Si2 C22 110.52(5) . . ?
C2 C1 H1 119.5 . . ?
C2 C1 C6 120.97(13) . . ?
C6 C1 H1 119.5 . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.28(13) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3 120.2 . . ?
C4 C3 C2 119.70(12) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.09(13) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.15(13) . . ?
C6 C5 H5 119.4 . . ?
C1 C6 Si1 119.32(10) . . ?
C1 C6 C5 117.81(12) . . ?
C5 C6 Si1 122.84(10) . . ?
C8 C7 Si1 121.76(10) . . ?
C12 C7 Si1 120.68(9) . . ?
C12 C7 C8 117.51(12) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 C7 121.22(13) . . ?
C9 C8 H8 119.4 . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.17(13) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C11 119.69(12) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.07(13) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 119.3 . . ?
C11 C12 C7 121.35(12) . . ?
C11 C12 H12 119.3 . . ?
C14 C13 Si1 112.30(9) . . ?
C14 C13 C18 118.43(11) . . ?
C18 C13 Si1 128.94(9) . . ?
C13 C14 H14 118.3 . . ?
C13 C14 C15 123.36(12) . . ?
C15 C14 H14 118.3 . . ?
C14 C15 H15 120.6 . . ?
C16 C15 C14 118.78(12) . . ?
C16 C15 H15 120.6 . . ?
C15 C16 H16 119.5 . . ?
C15 C16 C17 120.90(12) . . ?
C17 C16 H16 119.5 . . ?
C16 C17 C18 120.67(12) . . ?
C16 C17 C19 118.61(12) . . ?
C19 C17 C18 120.72(12) . . ?
C13 C18 C22 125.35(11) . . ?
C17 C18 C13 117.28(11) . . ?
C17 C18 C22 117.37(11) . . ?
C17 C19 H19 119.6 . . ?
C20 C19 C17 120.80(12) . . ?
C20 C19 H19 119.6 . . ?
C19 C20 H20 120.6 . . ?
C19 C20 C21 118.71(12) . . ?
C21 C20 H20 120.6 . . ?
C20 C21 H21 118.2 . . ?
C22 C21 C20 123.65(12) . . ?
C22 C21 H21 118.2 . . ?
C18 C22 Si2 129.35(9) . . ?
C21 C22 Si2 112.07(9) . . ?
C21 C22 C18 118.13(11) . . ?
C24 C23 Si2 123.35(10) . . ?
C24 C23 C28 117.91(12) . . ?
C28 C23 Si2 118.58(9) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 C23 120.89(12) . . ?
C25 C24 H24 119.6 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.28(12) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 120.2 . . ?
C25 C26 C27 119.63(12) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 119.93(12) . . ?
C28 C27 H27 120.0 . . ?
C23 C28 H28 119.3 . . ?
C27 C28 C23 121.34(12) . . ?
C27 C28 H28 119.3 . . ?
C30 C29 Si2 121.36(10) . . ?
C30 C29 C34 117.36(11) . . ?
C34 C29 Si2 121.23(10) . . ?
C29 C30 H30 119.4 . . ?
C31 C30 C29 121.23(12) . . ?
C31 C30 H30 119.4 . . ?
C30 C31 H31 119.8 . . ?
C32 C31 C30 120.41(12) . . ?
C32 C31 H31 119.8 . . ?
C31 C32 H32 120.3 . . ?
C31 C32 C33 119.34(12) . . ?
C33 C32 H32 120.3 . . ?
C32 C33 H33 119.9 . . ?
C32 C33 C34 120.29(13) . . ?
C34 C33 H33 119.9 . . ?
C29 C34 H34 119.3 . . ?
C33 C34 C29 121.34(12) . . ?
C33 C34 H34 119.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si1 C7 C8 C9 177.98(10) . . . . ?
Si1 C7 C12 C11 -177.82(10) . . . . ?
Si1 C13 C14 C15 174.49(10) . . . . ?
Si1 C13 C18 C17 -166.81(9) . . . . ?
Si1 C13 C18 C22 12.68(18) . . . . ?
Si2 C23 C24 C25 -176.27(10) . . . . ?
Si2 C23 C28 C27 175.81(10) . . . . ?
Si2 C29 C30 C31 178.53(10) . . . . ?
Si2 C29 C34 C33 -178.57(10) . . . . ?
C1 C2 C3 C4 -0.4(2) . . . . ?
C2 C1 C6 Si1 178.98(10) . . . . ?
C2 C1 C6 C5 0.80(18) . . . . ?
C2 C3 C4 C5 0.2(2) . . . . ?
C3 C4 C5 C6 0.4(2) . . . . ?
C4 C5 C6 Si1 -179.05(10) . . . . ?
C4 C5 C6 C1 -0.94(19) . . . . ?
C6 Si1 C7 C8 -16.57(12) . . . . ?
C6 Si1 C7 C12 160.89(10) . . . . ?
C6 Si1 C13 C14 78.90(10) . . . . ?
C6 Si1 C13 C18 -107.82(11) . . . . ?
C6 C1 C2 C3 -0.16(19) . . . . ?
C7 Si1 C6 C1 -72.48(11) . . . . ?
C7 Si1 C6 C5 105.60(11) . . . . ?
C7 Si1 C13 C14 -39.92(11) . . . . ?
C7 Si1 C13 C18 133.35(11) . . . . ?
C7 C8 C9 C10 -0.5(2) . . . . ?
C8 C7 C12 C11 -0.26(19) . . . . ?
C8 C9 C10 C11 0.3(2) . . . . ?
C9 C10 C11 C12 -0.2(2) . . . . ?
C10 C11 C12 C7 0.1(2) . . . . ?
C12 C7 C8 C9 0.44(19) . . . . ?
C13 Si1 C6 C1 167.49(10) . . . . ?
C13 Si1 C6 C5 -14.43(12) . . . . ?
C13 Si1 C7 C8 104.14(11) . . . . ?
C13 Si1 C7 C12 -78.40(11) . . . . ?
C13 C14 C15 C16 -5.1(2) . . . . ?
C13 C18 C22 Si2 17.03(18) . . . . ?
C13 C18 C22 C21 -171.34(11) . . . . ?
C14 C13 C18 C17 6.11(16) . . . . ?
C14 C13 C18 C22 -174.40(11) . . . . ?
C14 C15 C16 C17 2.81(19) . . . . ?
C15 C16 C17 C18 3.92(19) . . . . ?
C15 C16 C17 C19 -176.26(12) . . . . ?
C16 C17 C18 C13 -8.33(17) . . . . ?
C16 C17 C18 C22 172.14(11) . . . . ?
C16 C17 C19 C20 -178.38(12) . . . . ?
C17 C18 C22 Si2 -163.48(9) . . . . ?
C17 C18 C22 C21 8.15(16) . . . . ?
C17 C19 C20 C21 4.3(2) . . . . ?
C18 C13 C14 C15 0.44(19) . . . . ?
C18 C17 C19 C20 1.44(19) . . . . ?
C19 C17 C18 C13 171.85(11) . . . . ?
C19 C17 C18 C22 -7.68(17) . . . . ?
C19 C20 C21 C22 -3.7(2) . . . . ?
C20 C21 C22 Si2 170.31(11) . . . . ?
C20 C21 C22 C18 -2.72(19) . . . . ?
C22 Si2 C23 C24 -12.41(12) . . . . ?
C22 Si2 C23 C28 172.23(9) . . . . ?
C22 Si2 C29 C30 96.97(11) . . . . ?
C22 Si2 C29 C34 -85.88(11) . . . . ?
C23 Si2 C22 C18 -106.44(11) . . . . ?
C23 Si2 C22 C21 81.52(10) . . . . ?
C23 Si2 C29 C30 -24.25(12) . . . . ?
C23 Si2 C29 C34 152.89(11) . . . . ?
C23 C24 C25 C26 0.7(2) . . . . ?
C24 C23 C28 C27 0.20(18) . . . . ?
C24 C25 C26 C27 0.3(2) . . . . ?
C25 C26 C27 C28 -0.94(19) . . . . ?
C26 C27 C28 C23 0.71(19) . . . . ?
C28 C23 C24 C25 -0.89(19) . . . . ?
C29 Si2 C22 C18 136.62(11) . . . . ?
C29 Si2 C22 C21 -35.42(11) . . . . ?
C29 Si2 C23 C24 107.72(11) . . . . ?
C29 Si2 C23 C28 -67.63(11) . . . . ?
C29 C30 C31 C32 -0.3(2) . . . . ?
C30 C29 C34 C33 -1.32(19) . . . . ?
C30 C31 C32 C33 -0.7(2) . . . . ?
C31 C32 C33 C34 0.7(2) . . . . ?
C32 C33 C34 C29 0.3(2) . . . . ?
C34 C29 C30 C31 1.28(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.216
_oxdiff_exptl_absorpt_empirical_full_min 0.793
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_19b_split
_database_code_depnum_ccdc_archive 'CCDC 1886587'
loop_
_audit_author_name
_audit_author_address
'Tilo Soehnel'
;University of Auckland
New Zealand
;
_audit_update_record             
;
2019-06-28 deposited with the CCDC.	2019-08-29 downloaded from the CCDC.
;
_audit_creation_date             2019-06-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3510 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34.1 H26 O0.1 Si2'
_chemical_formula_sum            'C34.10 H26 O0.10 Si2'
_chemical_formula_weight         493.60
_chemical_melting_point          ?
_chemical_oxdiff_formula         C34H26Si2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.6489(3)
_cell_length_b                   8.81950(10)
_cell_length_c                   19.3548(3)
_cell_angle_alpha                90
_cell_angle_beta                 106.959(2)
_cell_angle_gamma                90
_cell_volume                     2555.10(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14234
_cell_measurement_temperature    110(1)
_cell_measurement_theta_max      74.3340
_cell_measurement_theta_min      2.9590
_shelx_estimated_absorpt_T_max   0.933
_shelx_estimated_absorpt_T_min   0.826
_exptl_absorpt_coefficient_mu    1.417
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93117
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1038
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_unetI/netI     0.0281
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19186
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.735
_diffrn_reflns_theta_min         5.556
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -34.00  14.00   0.50    0.10    --  -47.48  44.00-107.00   96
  2  ω    -68.00 -26.00   0.50    0.10    --  -47.48 -38.00 -60.00   84
  3  ω   -100.00 -75.00   0.50    0.10    --  -47.48 -44.00 101.00   50
  4  ω    -66.00 -39.00   0.50    0.10    --  -47.48 -44.00 101.00   54
  5  ω   -111.00 -26.00   0.50    0.42    --  -90.25  61.00   0.00  170
  6  ω    -89.00 -36.00   0.50    0.42    --  -90.25 111.00   0.00  106
  7  ω   -162.00 -70.00   0.50    0.42    --  -90.25 -44.00 101.00  184
  8  ω   -124.00 -73.00   0.50    0.10    --  -47.48-125.00  60.00  102
  9  ω   -124.00 -71.00   0.50    0.10    --  -47.48-125.00  30.00  106
 10  ω   -123.00 -71.00   0.50    0.10    --  -47.48-125.00-180.00  104
 11  ω     32.00 114.00   0.50    0.10    --   47.48  57.00 -60.00  164
 12  ω    115.00 141.00   0.50    0.42    --  102.39  44.00-107.00   52
 13  ω     90.00 178.00   0.50    0.42    --  102.39  45.00 -30.00  176
 14  ω    148.00 173.00   0.50    0.42    --  102.39 111.00-120.00   50
 15  ω     83.00 178.00   0.50    0.42    --  102.39  45.00   0.00  190
 16  ω     57.00  83.00   0.50    0.42    --  102.39 -44.00 101.00   52
 17  ω     36.00 105.00   0.50    0.42    --  102.39 -61.00  60.00  138
 18  ω     51.00 108.00   0.50    0.42    --  102.39 -95.00 -90.00  114
 19  ω     27.00 120.00   0.50    0.42    --  102.39 -45.00-180.00  186
 20  ω     52.00  77.00   0.50    0.10    --   47.48  44.00-107.00   50
 21  ω     31.00  56.00   0.50    0.42    --  102.39 -95.00-150.00   50
 22  ω     24.00  84.00   0.50    0.42    --  102.39 -95.00  30.00  120
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0819649000
_diffrn_orient_matrix_UB_12      0.0955303000
_diffrn_orient_matrix_UB_13      0.0011745000
_diffrn_orient_matrix_UB_21      0.0301361000
_diffrn_orient_matrix_UB_22      -0.0042991000
_diffrn_orient_matrix_UB_23      0.0831897000
_diffrn_orient_matrix_UB_31      0.0544904000
_diffrn_orient_matrix_UB_32      0.1461450000
_diffrn_orient_matrix_UB_33      0.0015917000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4237
_reflns_number_total             4633
_reflns_odcompleteness_completeness 99.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.62
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.248
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       0.00046(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         4633
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0326
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0469P)²+1.1302P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0892
_refine_ls_wR_factor_ref         0.0914
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All Si(O) groups
2. Restrained distances
 Si1A-O1 = Si2A-O1
 1.65 with sigma of 0.02
 Si1A-C6A = Si1A-C7A = Si2A-C23A = Si2A-C29A
 1.88 with sigma of 0.005
3. Uiso/Uaniso restraints and constraints
Uanis(Si1) = Uanis(Si1A)
Uanis(Si2) = Uanis(Si2A)
Uanis(C1) = Uanis(C1A)
Uanis(C2) = Uanis(C2A)
Uanis(C3) = Uanis(C3A)
Uanis(C4) = Uanis(C4A)
Uanis(C5) = Uanis(C5A)
Uanis(C6) = Uanis(C6A)
Uanis(C7) = Uanis(C7A)
Uanis(C8) = Uanis(C8A)
Uanis(C9) = Uanis(C9A)
Uanis(C10) = Uanis(C10A)
Uanis(C11) = Uanis(C11A)
Uanis(C12) = Uanis(C12A)
Uanis(C23) = Uanis(C23A)
Uanis(C24) = Uanis(C24A)
Uanis(C25) = Uanis(C25A)
Uanis(C26) = Uanis(C26A)
Uanis(C27) = Uanis(C27A)
Uanis(C28) = Uanis(C28A)
Uanis(C29) = Uanis(C29A)
Uanis(C30) = Uanis(C30A)
Uanis(C31) = Uanis(C31A)
Uanis(C32) = Uanis(C32A)
Uanis(C33) = Uanis(C33A)
Uanis(C34) = Uanis(C34A)
4. Others
 Sof(Si1)=Sof(Si2)=Sof(C1)=Sof(H1)=Sof(C2)=Sof(H2)=Sof(C3)=Sof(H3)=Sof(C4)=
 Sof(H4)=Sof(C5)=Sof(H5)=Sof(C6)=Sof(C7)=Sof(C8)=Sof(H8)=Sof(H9)=Sof(C10)=
 Sof(H10)=Sof(C11)=Sof(H11)=Sof(C12)=Sof(H12)=Sof(C23)=Sof(C24)=Sof(H24)=
 Sof(C25)=Sof(H25)=Sof(C26)=Sof(H26)=Sof(C27)=Sof(H27)=Sof(C28)=Sof(H28)=
 Sof(C29)=Sof(C30)=Sof(H30)=Sof(C31)=Sof(H31)=Sof(C32)=Sof(H32)=Sof(C33)=
 Sof(H33)=Sof(C34)=Sof(H34)=1-FVAR(1)
 Sof(Si1A)=Sof(Si2A)=Sof(O1)=Sof(C1A)=Sof(H1A)=Sof(C2A)=Sof(H2A)=Sof(C3A)=
 Sof(H3A)=Sof(C4A)=Sof(H4A)=Sof(C5A)=Sof(H5A)=Sof(C6A)=Sof(C7A)=Sof(C8A)=
 Sof(H8A)=Sof(C9A)=Sof(H9A)=Sof(C10A)=Sof(H10A)=Sof(C11A)=Sof(H11A)=Sof(C12A)=
 Sof(H12A)=Sof(C23A)=Sof(C24A)=Sof(H24A)=Sof(C25A)=Sof(H25A)=Sof(C26A)=
 Sof(H26A)=Sof(C27A)=Sof(H27A)=Sof(C28A)=Sof(H28A)=Sof(C29A)=Sof(C30A)=
 Sof(H30A)=Sof(C31A)=Sof(H31A)=Sof(C32A)=Sof(H32A)=Sof(C33A)=Sof(H33A)=
 Sof(C34A)=Sof(H34A)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C1A(H1A),
 C2A(H2A), C3A(H3A), C4A(H4A), C5A(H5A), C8A(H8A), C9A(H9A), C10A(H10A),
 C11A(H11A), C12A(H12A), C24A(H24A), C25A(H25A), C26A(H26A), C27A(H27A),
 C28A(H28A), C30A(H30A), C31A(H31A), C32A(H32A), C33A(H33A), C34A(H34A), C1(H1),
  C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32),
  C33(H33), C34(H34)
5.b Fitted hexagon refined as free rotating group:
 C1A(C2A,C3A,C4A,C5A,C6A), C7A(C8A,C9A,C10A,C11A,C12A), C23A(C24A,C25A,C26A,
 C27A,C28A), C29A(C30A,C31A,C32A,C33A,C34A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C13 C 0.13623(9) 0.33038(15) 0.34409(7) 0.0184(3) Uani 1 1 d . . . . .
C14 C 0.07263(10) 0.23860(17) 0.35919(8) 0.0223(3) Uani 1 1 d . . . . .
H14 H 0.069037 0.234339 0.406271 0.027 Uiso 1 1 calc R . . . .
C15 C 0.01302(10) 0.15125(18) 0.30553(9) 0.0263(3) Uani 1 1 d . . . . .
H15 H -0.028820 0.089597 0.317396 0.032 Uiso 1 1 calc R . . . .
C16 C 0.01672(10) 0.15714(17) 0.23581(9) 0.0262(3) Uani 1 1 d . . . . .
H16 H -0.023554 0.100610 0.200330 0.031 Uiso 1 1 calc R . . . .
C17 C 0.08114(9) 0.24830(16) 0.21695(8) 0.0207(3) Uani 1 1 d . . . . .
C18 C 0.14275(9) 0.33459(15) 0.27175(7) 0.0179(3) Uani 1 1 d . . . . .
C19 C 0.08710(10) 0.25349(17) 0.14537(8) 0.0237(3) Uani 1 1 d . . . . .
H19 H 0.046736 0.198433 0.109301 0.028 Uiso 1 1 calc R . . . .
C20 C 0.15126(10) 0.33814(17) 0.12863(8) 0.0233(3) Uani 1 1 d . . . . .
H20 H 0.154271 0.340260 0.081361 0.028 Uiso 1 1 calc R . . . .
C21 C 0.21320(10) 0.42269(16) 0.18269(8) 0.0206(3) Uani 1 1 d . . . . .
H21 H 0.256489 0.479846 0.170320 0.025 Uiso 1 1 calc R . . . .
C22 C 0.21082(9) 0.42223(15) 0.25365(7) 0.0179(3) Uani 1 1 d . . . . .
Si1 Si 0.21913(6) 0.44483(10) 0.41385(4) 0.01617(16) Uani 0.897(2) 1 d . . P A
1
Si1A Si 0.2152(7) 0.4486(11) 0.4292(5) 0.01617(16) Uani 0.103(2) 1 d D . P A 2
Si2A Si 0.3059(6) 0.5419(9) 0.3215(5) 0.01603(16) Uani 0.103(2) 1 d D . P A 2
O1 O 0.2843(6) 0.5445(10) 0.3983(5) 0.019 Uiso 0.103(2) 1 d DR . P A 2
C1A C 0.333(3) 0.351(3) 0.555(2) 0.0218(6) Uani 0.103(2) 1 d . . P A 2
H1A H 0.330710 0.453067 0.566475 0.026 Uiso 0.103(2) 1 calc R . P A 2
C2A C 0.389(2) 0.254(5) 0.6047(17) 0.0247(6) Uani 0.103(2) 1 d G . P A 2
H2A H 0.424276 0.290627 0.648981 0.030 Uiso 0.103(2) 1 calc R . P A 2
C3A C 0.393(3) 0.101(5) 0.588(2) 0.0269(5) Uani 0.103(2) 1 d G . P A 2
H3A H 0.430967 0.035908 0.621078 0.032 Uiso 0.103(2) 1 calc R . P A 2
C4A C 0.341(3) 0.046(3) 0.522(2) 0.0273(6) Uani 0.103(2) 1 d G . P A 2
H4A H 0.344092 -0.056373 0.510669 0.033 Uiso 0.103(2) 1 calc R . P A 2
C5A C 0.285(3) 0.143(4) 0.4724(19) 0.0218(6) Uani 0.103(2) 1 d G . P A 2
H5A H 0.250525 0.106064 0.428162 0.026 Uiso 0.103(2) 1 calc R . P A 2
C6A C 0.281(3) 0.296(4) 0.489(2) 0.0194(4) Uani 0.103(2) 1 d DG . P A 2
C7A C 0.1561(15) 0.592(2) 0.4703(13) 0.0190(4) Uani 0.103(2) 1 d D . P A 2
C8A C 0.1172(18) 0.549(2) 0.5235(14) 0.0234(5) Uani 0.103(2) 1 d G . P A 2
H8A H 0.116539 0.447831 0.536337 0.028 Uiso 0.103(2) 1 calc R . P A 2
C9A C 0.079(2) 0.658(3) 0.5573(14) 0.0330(4) Uani 0.103(2) 1 d G . P A 2
H9A H 0.053474 0.629960 0.592889 0.040 Uiso 0.103(2) 1 calc R . P A 2
C10A C 0.081(2) 0.810(3) 0.5381(17) 0.0266(6) Uani 0.103(2) 1 d G . P A 2
H10A H 0.055243 0.883125 0.560780 0.032 Uiso 0.103(2) 1 calc R . P A 2
C11A C 0.119(2) 0.853(2) 0.4850(18) 0.0301(6) Uani 0.103(2) 1 d G . P A 2
H11A H 0.120077 0.954162 0.472118 0.036 Uiso 0.103(2) 1 calc R . P A 2
C12A C 0.1572(19) 0.744(3) 0.4511(14) 0.0252(4) Uani 0.103(2) 1 d G . P A 2
H12A H 0.183142 0.772035 0.415565 0.030 Uiso 0.103(2) 1 calc R . P A 2
C23A C 0.3091(13) 0.7437(11) 0.2917(9) 0.0189(4) Uani 0.103(2) 1 d D . P A 2
C24A C 0.2512(11) 0.8050(16) 0.2293(8) 0.0267(4) Uani 0.103(2) 1 d G . P A 2
H24A H 0.210263 0.742969 0.197129 0.032 Uiso 0.103(2) 1 calc R . P A 2
C25A C 0.2544(13) 0.9591(17) 0.2151(9) 0.0337(5) Uani 0.103(2) 1 d G . P A 2
H25A H 0.215635 1.000067 0.173380 0.040 Uiso 0.103(2) 1 calc R . P A 2
C26A C 0.3155(17) 1.0518(11) 0.2632(11) 0.0319(5) Uani 0.103(2) 1 d G . P A 2
H26A H 0.317666 1.154866 0.253709 0.038 Uiso 0.103(2) 1 calc R . P A 2
C27A C 0.3734(17) 0.9905(19) 0.3256(10) 0.0280(5) Uani 0.103(2) 1 d G . P A 2
H27A H 0.414326 1.052569 0.357788 0.034 Uiso 0.103(2) 1 calc R . P A 2
C28A C 0.3702(14) 0.836(2) 0.3398(9) 0.0224(4) Uani 0.103(2) 1 d G . P A 2
H28A H 0.408955 0.795470 0.381539 0.027 Uiso 0.103(2) 1 calc R . P A 2
C29A C 0.4149(12) 0.439(3) 0.3357(16) 0.0174(5) Uani 0.103(2) 1 d D . P A 2
C30A C 0.4647(12) 0.414(3) 0.2879(12) 0.0257(5) Uani 0.103(2) 1 d G . P A 2
H30A H 0.441683 0.440742 0.239613 0.031 Uiso 0.103(2) 1 calc R . P A 2
C31A C 0.5488(11) 0.348(4) 0.3124(15) 0.0274(5) Uani 0.103(2) 1 d G . P A 2
H31A H 0.582041 0.330455 0.280437 0.033 Uiso 0.103(2) 1 calc R . P A 2
C32A C 0.5831(14) 0.307(4) 0.3846(16) 0.0241(5) Uani 0.103(2) 1 d G . P A 2
H32A H 0.639399 0.263104 0.401008 0.029 Uiso 0.103(2) 1 calc R . P A 2
C33A C 0.533(2) 0.333(5) 0.4324(12) 0.0258(5) Uani 0.103(2) 1 d G . P A 2
H33A H 0.556400 0.306042 0.480756 0.031 Uiso 0.103(2) 1 calc R . P A 2
C34A C 0.449(2) 0.399(4) 0.4080(15) 0.0210(5) Uani 0.103(2) 1 d G . P A 2
H34A H 0.416042 0.416330 0.439934 0.025 Uiso 0.103(2) 1 calc R . P A 2
Si2 Si 0.29440(5) 0.51975(8) 0.33059(4) 0.01603(16) Uani 0.897(2) 1 d . . P A 1
C1 C 0.3217(3) 0.3604(4) 0.5582(2) 0.0218(6) Uani 0.897(2) 1 d . . P A 1
H1 H 0.311964 0.458704 0.571546 0.026 Uiso 0.897(2) 1 calc R . P A 1
C2 C 0.3762(2) 0.2644(5) 0.60879(18) 0.0247(6) Uani 0.897(2) 1 d . . P A 1
H2 H 0.403525 0.298988 0.655410 0.030 Uiso 0.897(2) 1 calc R . P A 1
C3 C 0.3900(4) 0.1173(5) 0.5900(2) 0.0269(5) Uani 0.897(2) 1 d . . P A 1
H3 H 0.426827 0.052913 0.623951 0.032 Uiso 0.897(2) 1 calc R . P A 1
C4 C 0.3489(3) 0.0655(3) 0.5206(3) 0.0273(6) Uani 0.897(2) 1 d . . P A 1
H4 H 0.357452 -0.034005 0.508182 0.033 Uiso 0.897(2) 1 calc R . P A 1
C5 C 0.2950(2) 0.1624(4) 0.4697(2) 0.0218(6) Uani 0.897(2) 1 d . . P A 1
H5 H 0.267940 0.126943 0.423159 0.026 Uiso 0.897(2) 1 calc R . P A 1
C6 C 0.2807(3) 0.3124(4) 0.4871(3) 0.0194(4) Uani 0.897(2) 1 d . . P A 1
C7 C 0.16690(16) 0.5958(3) 0.45689(12) 0.0190(4) Uani 0.897(2) 1 d . . P A 1
C8 C 0.12770(17) 0.5546(3) 0.51034(12) 0.0234(5) Uani 0.897(2) 1 d . . P A 1
H8 H 0.126779 0.452920 0.522852 0.028 Uiso 0.897(2) 1 calc R . P A 1
C9 C 0.09003(19) 0.6617(3) 0.54531(14) 0.0330(4) Uani 1 1 d . . . A 1
H9 H 0.064300 0.631696 0.580781 0.040 Uiso 0.897(2) 1 calc R . P A 1
C10 C 0.0910(2) 0.8133(3) 0.52713(17) 0.0266(6) Uani 0.897(2) 1 d . . P A 1
H10 H 0.066142 0.885380 0.550589 0.032 Uiso 0.897(2) 1 calc R . P A 1
C11 C 0.1288(2) 0.8576(3) 0.47416(18) 0.0301(6) Uani 0.897(2) 1 d . . P A 1
H11 H 0.128891 0.959372 0.461685 0.036 Uiso 0.897(2) 1 calc R . P A 1
C12 C 0.1668(2) 0.7497(3) 0.43933(15) 0.0252(4) Uani 0.897(2) 1 d . . P A 1
H12 H 0.192525 0.780585 0.403960 0.030 Uiso 0.897(2) 1 calc R . P A 1
C23 C 0.30161(13) 0.7260(2) 0.30916(10) 0.0189(4) Uani 0.897(2) 1 d . . P A 1
C24 C 0.24027(13) 0.7938(2) 0.24985(11) 0.0267(4) Uani 0.897(2) 1 d . . P A 1
H24 H 0.195050 0.735302 0.219796 0.032 Uiso 0.897(2) 1 calc R . P A 1
C25 C 0.24572(15) 0.9472(2) 0.23501(12) 0.0337(5) Uani 0.897(2) 1 d . . P A 1
H25 H 0.204901 0.989662 0.194770 0.040 Uiso 0.897(2) 1 calc R . P A 1
C26 C 0.31104(18) 1.0364(2) 0.27944(13) 0.0319(5) Uani 0.897(2) 1 d . . P A 1
H26 H 0.314024 1.139197 0.269607 0.038 Uiso 0.897(2) 1 calc R . P A 1
C27 C 0.3724(2) 0.9725(3) 0.33889(12) 0.0280(5) Uani 0.897(2) 1 d . . P A 1
H27 H 0.416353 1.032598 0.369311 0.034 Uiso 0.897(2) 1 calc R . P A 1
C28 C 0.36818(16) 0.8188(3) 0.35310(10) 0.0224(4) Uani 0.897(2) 1 d . . P A 1
H28 H 0.410442 0.776569 0.392586 0.027 Uiso 0.897(2) 1 calc R . P A 1
C29 C 0.40868(14) 0.4309(3) 0.35004(12) 0.0174(5) Uani 0.897(2) 1 d . . P A 1
C30 C 0.44589(14) 0.4058(3) 0.29345(13) 0.0257(5) Uani 0.897(2) 1 d . . P A 1
H30 H 0.414289 0.436337 0.247032 0.031 Uiso 0.897(2) 1 calc R . P A 1
C31 C 0.52857(12) 0.3367(4) 0.30450(15) 0.0274(5) Uani 0.897(2) 1 d . . P A 1
H31 H 0.551347 0.320670 0.265761 0.033 Uiso 0.897(2) 1 calc R . P A 1
C32 C 0.57691(16) 0.2917(4) 0.37322(16) 0.0241(5) Uani 0.897(2) 1 d . . P A 1
H32 H 0.632035 0.244413 0.380910 0.029 Uiso 0.897(2) 1 calc R . P A 1
C33 C 0.5427(2) 0.3174(5) 0.43031(15) 0.0258(5) Uani 0.897(2) 1 d . . P A 1
H33 H 0.575558 0.289131 0.476748 0.031 Uiso 0.897(2) 1 calc R . P A 1
C34 C 0.4594(2) 0.3854(4) 0.41902(14) 0.0210(5) Uani 0.897(2) 1 d . . P A 1
H34 H 0.437113 0.400751 0.458068 0.025 Uiso 0.897(2) 1 calc R . P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C13 C14 1.379(2) . ?
C13 C18 1.434(2) . ?
C13 Si1 1.8717(17) . ?
C13 Si1A 2.035(10) . ?
C14 H14 0.9300 . ?
C14 C15 1.406(2) . ?
C15 H15 0.9300 . ?
C15 C16 1.368(2) . ?
C16 H16 0.9300 . ?
C16 C17 1.418(2) . ?
C17 C18 1.427(2) . ?
C17 C19 1.416(2) . ?
C18 C22 1.440(2) . ?
C19 H19 0.9300 . ?
C19 C20 1.364(2) . ?
C20 H20 0.9300 . ?
C20 C21 1.414(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.385(2) . ?
C22 Si2A 1.977(9) . ?
C22 Si2 1.8793(16) . ?
Si1 Si2 2.3512(13) . ?
Si1 C6 1.872(2) . ?
Si1 C7 1.8796(18) . ?
Si1A O1 1.619(11) . ?
Si1A C6A 1.880(5) . ?
Si1A C7A 1.876(5) . ?
Si2A O1 1.617(11) . ?
Si2A C23A 1.877(5) . ?
Si2A C29A 1.879(5) . ?
C1A H1A 0.9300 . ?
C1A C2A 1.3900 . ?
C1A C6A 1.3900 . ?
C2A H2A 0.9300 . ?
C2A C3A 1.3900 . ?
C3A H3A 0.9300 . ?
C3A C4A 1.3900 . ?
C4A H4A 0.9300 . ?
C4A C5A 1.3900 . ?
C5A H5A 0.9300 . ?
C5A C6A 1.3900 . ?
C7A C8A 1.3900 . ?
C7A C12A 1.3900 . ?
C8A H8A 0.9300 . ?
C8A C9A 1.3900 . ?
C9A H9A 0.9300 . ?
C9A C10A 1.3900 . ?
C10A H10A 0.9300 . ?
C10A C11A 1.3900 . ?
C11A H11A 0.9300 . ?
C11A C12A 1.3900 . ?
C12A H12A 0.9300 . ?
C23A C24A 1.3900 . ?
C23A C28A 1.3900 . ?
C24A H24A 0.9300 . ?
C24A C25A 1.3900 . ?
C25A H25A 0.9300 . ?
C25A C26A 1.3900 . ?
C26A H26A 0.9300 . ?
C26A C27A 1.3900 . ?
C27A H27A 0.9300 . ?
C27A C28A 1.3900 . ?
C28A H28A 0.9300 . ?
C29A C30A 1.3900 . ?
C29A C34A 1.3900 . ?
C30A H30A 0.9300 . ?
C30A C31A 1.3900 . ?
C31A H31A 0.9300 . ?
C31A C32A 1.3900 . ?
C32A H32A 0.9300 . ?
C32A C33A 1.3900 . ?
C33A H33A 0.9300 . ?
C33A C34A 1.3900 . ?
C34A H34A 0.9300 . ?
Si2 C23 1.8766(18) . ?
Si2 C29 1.8871(17) . ?
C1 H1 0.9300 . ?
C1 C2 1.385(2) . ?
C1 C6 1.402(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.381(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.387(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.389(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.400(2) . ?
C7 C8 1.396(2) . ?
C7 C12 1.399(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.390(2) . ?
C9 H9 0.9300 . ?
C9 C10 1.383(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.381(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.396(2) . ?
C12 H12 0.9300 . ?
C23 C24 1.398(2) . ?
C23 C28 1.400(2) . ?
C24 H24 0.9300 . ?
C24 C25 1.391(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.375(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.385(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.389(2) . ?
C28 H28 0.9300 . ?
C29 C30 1.400(2) . ?
C29 C34 1.398(2) . ?
C30 H30 0.9300 . ?
C30 C31 1.389(3) . ?
C31 H31 0.9300 . ?
C31 C32 1.383(3) . ?
C32 H32 0.9300 . ?
C32 C33 1.380(3) . ?
C33 H33 0.9300 . ?
C33 C34 1.393(2) . ?
C34 H34 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C14 C13 C18 118.92(13) . . ?
C14 C13 Si1 123.72(11) . . ?
C14 C13 Si1A 115.8(3) . . ?
C18 C13 Si1 117.30(10) . . ?
C18 C13 Si1A 125.3(3) . . ?
C13 C14 H14 119.0 . . ?
C13 C14 C15 121.97(14) . . ?
C15 C14 H14 119.0 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.86(14) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 119.6 . . ?
C15 C16 C17 120.88(14) . . ?
C17 C16 H16 119.6 . . ?
C16 C17 C18 119.20(13) . . ?
C19 C17 C16 121.66(13) . . ?
C19 C17 C18 119.13(13) . . ?
C13 C18 C22 121.34(12) . . ?
C17 C18 C13 119.13(13) . . ?
C17 C18 C22 119.53(12) . . ?
C17 C19 H19 119.6 . . ?
C20 C19 C17 120.87(14) . . ?
C20 C19 H19 119.6 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.42(13) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.3 . . ?
C22 C21 C20 121.43(13) . . ?
C22 C21 H21 119.3 . . ?
C18 C22 Si2A 126.3(2) . . ?
C18 C22 Si2 116.50(10) . . ?
C21 C22 C18 118.61(13) . . ?
C21 C22 Si2A 115.1(2) . . ?
C21 C22 Si2 124.80(11) . . ?
C13 Si1 Si2 92.15(5) . . ?
C13 Si1 C6 107.78(16) . . ?
C13 Si1 C7 113.72(10) . . ?
C6 Si1 Si2 116.35(19) . . ?
C6 Si1 C7 107.51(19) . . ?
C7 Si1 Si2 118.31(8) . . ?
O1 Si1A C13 106.4(5) . . ?
O1 Si1A C6A 107.2(17) . . ?
O1 Si1A C7A 105.7(10) . . ?
C6A Si1A C13 103.1(14) . . ?
C7A Si1A C13 115.5(9) . . ?
C7A Si1A C6A 118.2(19) . . ?
O1 Si2A C22 107.5(5) . . ?
O1 Si2A C23A 107.5(8) . . ?
O1 Si2A C29A 107.2(10) . . ?
C23A Si2A C22 112.6(7) . . ?
C23A Si2A C29A 113.3(11) . . ?
C29A Si2A C22 108.4(11) . . ?
Si2A O1 Si1A 132.3(7) . . ?
C2A C1A H1A 120.0 . . ?
C2A C1A C6A 120.0 . . ?
C6A C1A H1A 120.0 . . ?
C1A C2A H2A 120.0 . . ?
C1A C2A C3A 120.0 . . ?
C3A C2A H2A 120.0 . . ?
C2A C3A H3A 120.0 . . ?
C4A C3A C2A 120.0 . . ?
C4A C3A H3A 120.0 . . ?
C3A C4A H4A 120.0 . . ?
C5A C4A C3A 120.0 . . ?
C5A C4A H4A 120.0 . . ?
C4A C5A H5A 120.0 . . ?
C4A C5A C6A 120.0 . . ?
C6A C5A H5A 120.0 . . ?
C1A C6A Si1A 113(2) . . ?
C5A C6A Si1A 127(2) . . ?
C5A C6A C1A 120.0 . . ?
C8A C7A Si1A 120.6(15) . . ?
C8A C7A C12A 120.0 . . ?
C12A C7A Si1A 119.3(15) . . ?
C7A C8A H8A 120.0 . . ?
C7A C8A C9A 120.0 . . ?
C9A C8A H8A 120.0 . . ?
C8A C9A H9A 120.0 . . ?
C10A C9A C8A 120.0 . . ?
C10A C9A H9A 120.0 . . ?
C9A C10A H10A 120.0 . . ?
C9A C10A C11A 120.0 . . ?
C11A C10A H10A 120.0 . . ?
C10A C11A H11A 120.0 . . ?
C12A C11A C10A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
C7A C12A H12A 120.0 . . ?
C11A C12A C7A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
C24A C23A Si2A 124.5(10) . . ?
C24A C23A C28A 120.0 . . ?
C28A C23A Si2A 115.3(10) . . ?
C23A C24A H24A 120.0 . . ?
C23A C24A C25A 120.0 . . ?
C25A C24A H24A 120.0 . . ?
C24A C25A H25A 120.0 . . ?
C26A C25A C24A 120.0 . . ?
C26A C25A H25A 120.0 . . ?
C25A C26A H26A 120.0 . . ?
C27A C26A C25A 120.0 . . ?
C27A C26A H26A 120.0 . . ?
C26A C27A H27A 120.0 . . ?
C26A C27A C28A 120.0 . . ?
C28A C27A H27A 120.0 . . ?
C23A C28A H28A 120.0 . . ?
C27A C28A C23A 120.0 . . ?
C27A C28A H28A 120.0 . . ?
C30A C29A Si2A 129.9(16) . . ?
C30A C29A C34A 120.0 . . ?
C34A C29A Si2A 109.8(16) . . ?
C29A C30A H30A 120.0 . . ?
C29A C30A C31A 120.0 . . ?
C31A C30A H30A 120.0 . . ?
C30A C31A H31A 120.0 . . ?
C30A C31A C32A 120.0 . . ?
C32A C31A H31A 120.0 . . ?
C31A C32A H32A 120.0 . . ?
C33A C32A C31A 120.0 . . ?
C33A C32A H32A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C34A C33A C32A 120.0 . . ?
C34A C33A H33A 120.0 . . ?
C29A C34A H34A 120.0 . . ?
C33A C34A C29A 120.0 . . ?
C33A C34A H34A 120.0 . . ?
C22 Si2 Si1 92.44(5) . . ?
C22 Si2 C29 111.60(11) . . ?
C23 Si2 C22 109.96(8) . . ?
C23 Si2 Si1 119.89(6) . . ?
C23 Si2 C29 109.39(10) . . ?
C29 Si2 Si1 112.44(6) . . ?
C2 C1 H1 119.3 . . ?
C2 C1 C6 121.37(15) . . ?
C6 C1 H1 119.3 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 119.96(16) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.01(16) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 119.96(17) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.14(16) . . ?
C6 C5 H5 119.4 . . ?
C1 C6 Si1 122.8(3) . . ?
C5 C6 Si1 119.4(3) . . ?
C5 C6 C1 117.53(15) . . ?
C8 C7 Si1 119.05(16) . . ?
C8 C7 C12 117.61(15) . . ?
C12 C7 Si1 123.32(14) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 C7 121.61(16) . . ?
C9 C8 H8 119.2 . . ?
C8 C9 H9 120.1 . . ?
C10 C9 C8 119.70(16) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.06(17) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.08(16) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 119.5 . . ?
C11 C12 C7 120.92(16) . . ?
C11 C12 H12 119.5 . . ?
C24 C23 Si2 121.66(14) . . ?
C24 C23 C28 117.40(15) . . ?
C28 C23 Si2 120.94(14) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 C23 121.11(17) . . ?
C25 C24 H24 119.4 . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.46(17) . . ?
C26 C25 H25 119.8 . . ?
C25 C26 H26 120.2 . . ?
C25 C26 C27 119.66(16) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.04(17) . . ?
C28 C27 H27 120.0 . . ?
C23 C28 H28 119.3 . . ?
C27 C28 C23 121.30(16) . . ?
C27 C28 H28 119.3 . . ?
C30 C29 Si2 119.72(15) . . ?
C34 C29 Si2 123.41(15) . . ?
C34 C29 C30 116.86(15) . . ?
C29 C30 H30 119.0 . . ?
C31 C30 C29 122.02(16) . . ?
C31 C30 H30 119.0 . . ?
C30 C31 H31 120.1 . . ?
C32 C31 C30 119.85(16) . . ?
C32 C31 H31 120.1 . . ?
C31 C32 H32 120.3 . . ?
C33 C32 C31 119.46(16) . . ?
C33 C32 H32 120.3 . . ?
C32 C33 H33 119.7 . . ?
C32 C33 C34 120.61(16) . . ?
C34 C33 H33 119.7 . . ?
C29 C34 H34 119.4 . . ?
C33 C34 C29 121.19(15) . . ?
C33 C34 H34 119.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 C14 C15 C16 -0.6(2) . . . . ?
C13 C18 C22 C21 -179.49(12) . . . . ?
C13 C18 C22 Si2A 2.1(3) . . . . ?
C13 C18 C22 Si2 3.80(17) . . . . ?
C13 Si1 C6 C1 -155.2(3) . . . . ?
C13 Si1 C6 C5 31.5(4) . . . . ?
C13 Si1 C7 C8 78.23(19) . . . . ?
C13 Si1 C7 C12 -103.29(19) . . . . ?
C13 Si1A O1 Si2A -9.0(11) . . . . ?
C13 Si1A C6A C1A -173.2(17) . . . . ?
C13 Si1A C6A C5A 10(3) . . . . ?
C13 Si1A C7A C8A 86.2(17) . . . . ?
C13 Si1A C7A C12A -98.6(15) . . . . ?
C14 C13 C18 C17 2.36(19) . . . . ?
C14 C13 C18 C22 -176.77(12) . . . . ?
C14 C13 Si1 Si2 173.80(12) . . . . ?
C14 C13 Si1 C6 55.2(2) . . . . ?
C14 C13 Si1 C7 -63.87(15) . . . . ?
C14 C15 C16 C17 1.2(2) . . . . ?
C15 C16 C17 C18 0.1(2) . . . . ?
C15 C16 C17 C19 178.73(14) . . . . ?
C16 C17 C18 C13 -1.83(19) . . . . ?
C16 C17 C18 C22 177.31(13) . . . . ?
C16 C17 C19 C20 -177.95(14) . . . . ?
C17 C18 C22 C21 1.39(19) . . . . ?
C17 C18 C22 Si2A -177.1(3) . . . . ?
C17 C18 C22 Si2 -175.33(10) . . . . ?
C17 C19 C20 C21 0.0(2) . . . . ?
C18 C13 C14 C15 -1.2(2) . . . . ?
C18 C13 Si1 Si2 -3.37(11) . . . . ?
C18 C13 Si1 C6 -122.0(2) . . . . ?
C18 C13 Si1 C7 118.97(12) . . . . ?
C18 C17 C19 C20 0.7(2) . . . . ?
C18 C22 Si2 Si1 -4.95(11) . . . . ?
C18 C22 Si2 C23 -128.05(11) . . . . ?
C18 C22 Si2 C29 110.38(11) . . . . ?
C19 C17 C18 C13 179.46(12) . . . . ?
C19 C17 C18 C22 -1.39(19) . . . . ?
C19 C20 C21 C22 0.0(2) . . . . ?
C20 C21 C22 C18 -0.7(2) . . . . ?
C20 C21 C22 Si2A 177.9(3) . . . . ?
C20 C21 C22 Si2 175.70(11) . . . . ?
C21 C22 Si2 Si1 178.56(12) . . . . ?
C21 C22 Si2 C23 55.47(14) . . . . ?
C21 C22 Si2 C29 -66.11(14) . . . . ?
C22 Si2A O1 Si1A 12.4(11) . . . . ?
C22 Si2A C23A C24A 0.5(15) . . . . ?
C22 Si2A C23A C28A 175.5(9) . . . . ?
C22 Si2A C29A C30A 68(2) . . . . ?
C22 Si2A C29A C34A -118.0(15) . . . . ?
C22 Si2 C23 C24 10.44(16) . . . . ?
C22 Si2 C23 C28 -170.71(15) . . . . ?
C22 Si2 C29 C30 49.6(2) . . . . ?
C22 Si2 C29 C34 -129.4(2) . . . . ?
Si1 C13 C14 C15 -178.28(12) . . . . ?
Si1 C13 C18 C17 179.67(10) . . . . ?
Si1 C13 C18 C22 0.54(17) . . . . ?
Si1 Si2 C23 C24 -94.68(15) . . . . ?
Si1 Si2 C23 C28 84.17(16) . . . . ?
Si1 Si2 C29 C30 151.94(16) . . . . ?
Si1 Si2 C29 C34 -27.1(2) . . . . ?
Si1 C7 C8 C9 178.4(2) . . . . ?
Si1 C7 C12 C11 -178.6(2) . . . . ?
Si1A C13 C14 C15 179.6(3) . . . . ?
Si1A C13 C18 C17 -178.4(3) . . . . ?
Si1A C13 C18 C22 2.4(4) . . . . ?
Si1A C7A C8A C9A 175(2) . . . . ?
Si1A C7A C12A C11A -175.3(19) . . . . ?
Si2A C23A C24A C25A 174.7(14) . . . . ?
Si2A C23A C28A C27A -175.2(13) . . . . ?
Si2A C29A C30A C31A 173(3) . . . . ?
Si2A C29A C34A C33A -175(2) . . . . ?
O1 Si1A C6A C1A 75(2) . . . . ?
O1 Si1A C6A C5A -102(3) . . . . ?
O1 Si1A C7A C8A -156.6(15) . . . . ?
O1 Si1A C7A C12A 18.7(16) . . . . ?
O1 Si2A C23A C24A -117.6(12) . . . . ?
O1 Si2A C23A C28A 57.3(12) . . . . ?
O1 Si2A C29A C30A -176.3(18) . . . . ?
O1 Si2A C29A C34A -2.3(17) . . . . ?
C1A C2A C3A C4A 0.0 . . . . ?
C2A C1A C6A Si1A -177(4) . . . . ?
C2A C1A C6A C5A 0.0 . . . . ?
C2A C3A C4A C5A 0.0 . . . . ?
C3A C4A C5A C6A 0.0 . . . . ?
C4A C5A C6A Si1A 177(4) . . . . ?
C4A C5A C6A C1A 0.0 . . . . ?
C6A Si1A O1 Si2A 100.8(18) . . . . ?
C6A Si1A C7A C8A -37(2) . . . . ?
C6A Si1A C7A C12A 139(2) . . . . ?
C6A C1A C2A C3A 0.0 . . . . ?
C7A Si1A O1 Si2A -132.3(12) . . . . ?
C7A Si1A C6A C1A -44(3) . . . . ?
C7A Si1A C6A C5A 139(3) . . . . ?
C7A C8A C9A C10A 0.0 . . . . ?
C8A C7A C12A C11A 0.0 . . . . ?
C8A C9A C10A C11A 0.0 . . . . ?
C9A C10A C11A C12A 0.0 . . . . ?
C10A C11A C12A C7A 0.0 . . . . ?
C12A C7A C8A C9A 0.0 . . . . ?
C23A Si2A O1 Si1A 133.8(10) . . . . ?
C23A Si2A C29A C30A -58(2) . . . . ?
C23A Si2A C29A C34A 116.1(15) . . . . ?
C23A C24A C25A C26A 0.0 . . . . ?
C24A C23A C28A C27A 0.0 . . . . ?
C24A C25A C26A C27A 0.0 . . . . ?
C25A C26A C27A C28A 0.0 . . . . ?
C26A C27A C28A C23A 0.0 . . . . ?
C28A C23A C24A C25A 0.0 . . . . ?
C29A Si2A O1 Si1A -104.0(14) . . . . ?
C29A Si2A C23A C24A 124.1(16) . . . . ?
C29A Si2A C23A C28A -61.0(16) . . . . ?
C29A C30A C31A C32A 0.0 . . . . ?
C30A C29A C34A C33A 0.0 . . . . ?
C30A C31A C32A C33A 0.0 . . . . ?
C31A C32A C33A C34A 0.0 . . . . ?
C32A C33A C34A C29A 0.0 . . . . ?
C34A C29A C30A C31A 0.0 . . . . ?
Si2 Si1 C6 C1 103.1(3) . . . . ?
Si2 Si1 C6 C5 -70.2(3) . . . . ?
Si2 Si1 C7 C8 -175.32(15) . . . . ?
Si2 Si1 C7 C12 3.2(2) . . . . ?
Si2 C23 C24 C25 179.26(15) . . . . ?
Si2 C23 C28 C27 -178.02(15) . . . . ?
Si2 C29 C30 C31 -178.0(2) . . . . ?
Si2 C29 C34 C33 178.6(2) . . . . ?
C1 C2 C3 C4 -0.3(3) . . . . ?
C2 C1 C6 Si1 -171.7(4) . . . . ?
C2 C1 C6 C5 1.8(3) . . . . ?
C2 C3 C4 C5 1.0(3) . . . . ?
C3 C4 C5 C6 -0.3(3) . . . . ?
C4 C5 C6 Si1 172.6(4) . . . . ?
C4 C5 C6 C1 -1.0(3) . . . . ?
C6 Si1 C7 C8 -41.0(3) . . . . ?
C6 Si1 C7 C12 137.5(2) . . . . ?
C6 C1 C2 C3 -1.1(3) . . . . ?
C7 Si1 C6 C1 -32.3(3) . . . . ?
C7 Si1 C6 C5 154.4(3) . . . . ?
C7 C8 C9 C10 0.0(3) . . . . ?
C8 C7 C12 C11 -0.1(3) . . . . ?
C8 C9 C10 C11 0.4(3) . . . . ?
C9 C10 C11 C12 -0.6(3) . . . . ?
C10 C11 C12 C7 0.4(3) . . . . ?
C12 C7 C8 C9 -0.2(2) . . . . ?
C23 Si2 C29 C30 -72.3(2) . . . . ?
C23 Si2 C29 C34 108.7(2) . . . . ?
C23 C24 C25 C26 -1.2(3) . . . . ?
C24 C23 C28 C27 0.9(2) . . . . ?
C24 C25 C26 C27 0.7(3) . . . . ?
C25 C26 C27 C28 0.5(3) . . . . ?
C26 C27 C28 C23 -1.3(3) . . . . ?
C28 C23 C24 C25 0.4(3) . . . . ?
C29 Si2 C23 C24 133.33(15) . . . . ?
C29 Si2 C23 C28 -47.82(18) . . . . ?
C29 C30 C31 C32 -0.6(3) . . . . ?
C30 C29 C34 C33 -0.4(2) . . . . ?
C30 C31 C32 C33 -0.6(3) . . . . ?
C31 C32 C33 C34 1.3(3) . . . . ?
C32 C33 C34 C29 -0.8(3) . . . . ?
C34 C29 C30 C31 1.1(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.128
_oxdiff_exptl_absorpt_empirical_full_min 0.896
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cpd_169_split
_database_code_depnum_ccdc_archive 'CCDC 1937006'
loop_
_audit_author_name
_audit_author_address
'Tilo Soehnel'
;University of Auckland
New Zealand
;
_audit_update_record             
;
2019-06-28 deposited with the CCDC.	2019-08-29 downloaded from the CCDC.
;
_audit_creation_date             2019-06-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3510 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H18 O0.1 Si2'
_chemical_formula_sum            'C14 H18 O0.10 Si2'
_chemical_formula_weight         243.98
_chemical_melting_point          ?
_chemical_oxdiff_formula         C14H18Si2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.35819(19)
_cell_length_b                   8.27537(16)
_cell_length_c                   19.9683(4)
_cell_angle_alpha                90
_cell_angle_beta                 94.0488(19)
_cell_angle_gamma                90
_cell_volume                     1377.70(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7409
_cell_measurement_temperature    99.97(13)
_cell_measurement_theta_max      74.0190
_cell_measurement_theta_min      5.6320
_shelx_estimated_absorpt_T_max   0.817
_shelx_estimated_absorpt_T_min   0.679
_exptl_absorpt_coefficient_mu    2.102
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92036
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.23a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.176
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             523
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14649
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.196
_diffrn_reflns_theta_min         4.440
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.97(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -28.00  75.00   0.50    0.33    --   47.48 -79.00-119.00  206
  2  ω     22.00  65.00   0.50    0.33    --   47.48  79.00   4.00   86
  3  ω     70.00  98.00   0.50    0.33    --   47.48  79.00   4.00   56
  4  ω    -85.00 -14.00   0.50    1.30    --  -90.25  79.00   4.00  142
  5  ω     29.00  97.00   0.50    1.30    --  101.53 -79.00-119.00  136
  6  ω    125.00 155.00   0.50    1.30    --  101.53  79.00   4.00   60
  7  ω   -123.00 -72.00   0.50    0.33    --  -47.48-125.00 -60.00  102
  8  ω    -27.00   1.00   0.50    0.33    --  -47.48  79.00   4.00   56
  9  ω   -120.00 -92.00   0.50    0.33    --  -47.48-125.00  90.00   56
 10  ω   -116.00 -79.00   0.50    0.33    --  -47.48-125.00 150.00   74
 11  ω   -118.00 -44.00   0.50    0.33    --  -47.48 -57.00-180.00  148
 12  ω   -124.00 -99.00   0.50    0.33    --  -47.48-125.00-180.00   50
 13  ω   -111.00 -68.00   0.50    1.30    --  -90.25 -61.00 150.00   86
 14  ω   -124.00 -82.00   0.50    1.30    --  -90.25 -94.00-180.00   84
 15  ω   -161.00-119.00   0.50    1.30    --  -90.25 -61.00 150.00   84
 16  ω   -168.00 -94.00   0.50    1.30    --  -90.25 -94.00 -90.00  148
 17  ω   -158.00 -79.00   0.50    1.30    --  -90.25-111.00 -30.00  158
 18  ω     77.00 107.00   0.50    1.30    --  101.53  77.00  60.00   60
 19  ω    148.00 174.00   0.50    1.30    --  101.53  77.00 -60.00   52
 20  ω     81.00 175.00   0.50    1.30    --  101.53  61.00  30.00  188
 21  ω     22.00  89.00   0.50    1.30    --  101.53 -94.00-180.00  134
 22  ω     79.00 141.00   0.50    1.30    --  101.53  77.00 -60.00  124
 23  ω     84.00 110.00   0.50    1.30    --  101.53  45.00  60.00   52
 24  ω     43.00  90.00   0.50    1.30    --  101.53 -45.00 -90.00   94
 25  ω     81.00 175.00   0.50    1.30    --  101.53  61.00 120.00  188
 26  ω    123.00 155.00   0.50    1.30    --  101.53  30.00 -60.00   64
 27  ω     60.00 149.00   0.50    1.30    --  101.53 178.00 150.00  178
 28  ω    119.00 150.00   0.50    1.30    --  101.53  45.00  60.00   62
 29  ω     25.00 111.00   0.50    1.30    --  101.53-111.00 -30.00  172
 30  ω    123.00 167.00   0.50    1.30    --  101.53  77.00  60.00   88
 31  ω     83.00 117.00   0.50    1.30    --  101.53  30.00 -60.00   68
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0048244000
_diffrn_orient_matrix_UB_12      -0.0843973000
_diffrn_orient_matrix_UB_13      -0.0685413000
_diffrn_orient_matrix_UB_21      -0.1061578000
_diffrn_orient_matrix_UB_22      0.1344979000
_diffrn_orient_matrix_UB_23      -0.0328376000
_diffrn_orient_matrix_UB_31      0.1511809000
_diffrn_orient_matrix_UB_32      0.0972704000
_diffrn_orient_matrix_UB_33      -0.0142041000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2526
_reflns_number_total             2767
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.23a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.23a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.23a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.249
_refine_diff_density_min         -0.280
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     205
_refine_ls_number_reflns         2767
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0296
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0331P)²+0.5914P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0756
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Si1A-O1 = Si2A-O1
 1.64 with sigma of 0.02
 Si1A-C2A = Si1A-C1A
 1.89 with sigma of 0.02
 Si2A-C4A = Si2A-C3A
 1.89 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(Si1) = Uanis(Si1A)
Uanis(Si2) = Uanis(Si2A)
Uanis(C4) = Uanis(C4A)
Uanis(C3) = Uanis(C3A)
Uanis(C2) = Uanis(C2A)
Uanis(C1) = Uanis(C1A)
4. Others
 Sof(Si1)=Sof(Si2)=Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(H1C)=Sof(C2)=Sof(H2A)=
 Sof(H2B)=Sof(H2C)=Sof(C3)=Sof(H3A)=Sof(H3B)=Sof(H3C)=Sof(C4)=Sof(H4A)=Sof(H4B)=
 Sof(H4C)=1-FVAR(1)
 Sof(Si1A)=Sof(Si2A)=Sof(O1)=Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(H1AC)=Sof(C2A)=
 Sof(H2AA)=Sof(H2AB)=Sof(H2AC)=Sof(C3A)=Sof(H3AA)=Sof(H3AB)=Sof(H3AC)=Sof(C4A)=
 Sof(H4AA)=Sof(H4AB)=Sof(H4AC)=FVAR(1)
5.a Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C1A(H1AA,
 H1AB,H1AC), C2A(H2AA,H2AB,H2AC), C3A(H3AA,H3AB,H3AC), C4A(H4AA,H4AB,H4AC)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C5 C 0.24289(16) 0.43659(16) 0.37603(6) 0.0205(3) Uani 1 1 d . . . . .
C6 C 0.11152(17) 0.53449(17) 0.36151(7) 0.0241(3) Uani 1 1 d . . . . .
H6 H 0.010(2) 0.511(2) 0.3796(8) 0.025(4) Uiso 1 1 d . . . . .
C7 C 0.11895(18) 0.67199(17) 0.31994(8) 0.0282(3) Uani 1 1 d . . . . .
H7 H 0.022(2) 0.736(2) 0.3088(9) 0.034(5) Uiso 1 1 d . . . . .
C8 C 0.25893(18) 0.71101(17) 0.29248(7) 0.0272(3) Uani 1 1 d . . . . .
H8 H 0.266(2) 0.801(2) 0.2649(9) 0.031(4) Uiso 1 1 d . . . . .
C9 C 0.39818(16) 0.61518(16) 0.30516(7) 0.0227(3) Uani 1 1 d . . . . .
C10 C 0.54426(18) 0.65249(18) 0.27651(7) 0.0263(3) Uani 1 1 d . . . . .
H10 H 0.546(2) 0.747(2) 0.2494(9) 0.032(4) Uiso 1 1 d . . . . .
C11 C 0.67635(17) 0.55659(18) 0.28826(7) 0.0272(3) Uani 1 1 d . . . . .
H11 H 0.776(2) 0.583(2) 0.2688(8) 0.031(4) Uiso 1 1 d . . . . .
C12 C 0.66927(17) 0.41971(18) 0.32998(7) 0.0244(3) Uani 1 1 d . . . . .
H12 H 0.766(2) 0.353(2) 0.3376(9) 0.034(5) Uiso 1 1 d . . . . .
C13 C 0.53147(15) 0.37851(16) 0.36015(6) 0.0203(3) Uani 1 1 d . . . . .
C14 C 0.39101(15) 0.47681(15) 0.34736(6) 0.0195(3) Uani 1 1 d . . . . .
Si1 Si 0.24421(12) 0.25191(12) 0.43104(5) 0.01939(16) Uani 0.904(4) 1 d . . P A
1
Si2 Si 0.51335(13) 0.19945(9) 0.41661(4) 0.01979(16) Uani 0.904(4) 1 d . . P A
1
C1 C 0.0922(8) 0.1018(4) 0.3957(3) 0.0289(7) Uani 0.904(4) 1 d . . P A 1
H1A H -0.011976 0.151157 0.392031 0.043 Uiso 0.904(4) 1 calc GR . P A 1
H1B H 0.090705 0.009848 0.424999 0.043 Uiso 0.904(4) 1 calc GR . P A 1
H1C H 0.120223 0.067651 0.352130 0.043 Uiso 0.904(4) 1 calc GR . P A 1
C2 C 0.1913(3) 0.3087(3) 0.51745(11) 0.0308(5) Uani 0.904(4) 1 d . . P A 1
H2A H 0.268752 0.384342 0.536544 0.046 Uiso 0.904(4) 1 calc GR . P A 1
H2B H 0.191254 0.213718 0.545045 0.046 Uiso 0.904(4) 1 calc GR . P A 1
H2C H 0.086694 0.357189 0.515079 0.046 Uiso 0.904(4) 1 calc GR . P A 1
C3 C 0.5598(3) 0.0125(3) 0.36917(16) 0.0302(6) Uani 0.904(4) 1 d . . P A 1
H3A H 0.489383 0.005758 0.329147 0.045 Uiso 0.904(4) 1 calc GR . P A 1
H3B H 0.544752 -0.080550 0.396735 0.045 Uiso 0.904(4) 1 calc GR . P A 1
H3C H 0.668989 0.016336 0.357273 0.045 Uiso 0.904(4) 1 calc GR . P A 1
C4 C 0.6562(2) 0.2199(3) 0.49283(10) 0.0299(4) Uani 0.904(4) 1 d . . P A 1
H4A H 0.763565 0.230859 0.479225 0.045 Uiso 0.904(4) 1 calc GR . P A 1
H4B H 0.649476 0.125543 0.520456 0.045 Uiso 0.904(4) 1 calc GR . P A 1
H4C H 0.628740 0.313764 0.517833 0.045 Uiso 0.904(4) 1 calc GR . P A 1
Si1A Si 0.2137(11) 0.2527(14) 0.4384(5) 0.01939(16) Uani 0.096(4) 1 d D . P A 2
Si2A Si 0.5536(10) 0.1903(11) 0.4212(5) 0.01979(16) Uani 0.096(4) 1 d D . P A 2
O1 O 0.3831(10) 0.1632(14) 0.4502(6) 0.034(4) Uani 0.096(4) 1 d D . P A 2
C1A C 0.092(8) 0.080(5) 0.401(3) 0.0289(7) Uani 0.096(4) 1 d D . P A 2
H1AA H -0.000248 0.121177 0.375304 0.043 Uiso 0.096(4) 1 calc GR . P A 2
H1AB H 0.058957 0.011396 0.436067 0.043 Uiso 0.096(4) 1 calc GR . P A 2
H1AC H 0.156663 0.018593 0.371944 0.043 Uiso 0.096(4) 1 calc GR . P A 2
C2A C 0.146(3) 0.326(4) 0.5201(11) 0.0308(5) Uani 0.096(4) 1 d D . P A 2
H2AA H 0.131402 0.234925 0.549040 0.046 Uiso 0.096(4) 1 calc GR . P A 2
H2AB H 0.046009 0.382240 0.512383 0.046 Uiso 0.096(4) 1 calc GR . P A 2
H2AC H 0.225092 0.397013 0.540809 0.046 Uiso 0.096(4) 1 calc GR . P A 2
C3A C 0.602(4) 0.006(4) 0.3705(19) 0.0302(6) Uani 0.096(4) 1 d D . P A 2
H3AA H 0.554606 0.017186 0.325494 0.045 Uiso 0.096(4) 1 calc GR . P A 2
H3AB H 0.559888 -0.088653 0.390725 0.045 Uiso 0.096(4) 1 calc GR . P A 2
H3AC H 0.716255 -0.004121 0.369389 0.045 Uiso 0.096(4) 1 calc GR . P A 2
C4A C 0.707(2) 0.235(4) 0.4901(11) 0.0299(4) Uani 0.096(4) 1 d D . P A 2
H4AA H 0.655108 0.273914 0.528371 0.045 Uiso 0.096(4) 1 calc GR . P A 2
H4AB H 0.779461 0.314997 0.475674 0.045 Uiso 0.096(4) 1 calc GR . P A 2
H4AC H 0.765007 0.137631 0.502156 0.045 Uiso 0.096(4) 1 calc GR . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C5 C6 1.3788(19) . ?
C5 C14 1.4392(18) . ?
C5 Si1 1.8817(16) . ?
C5 Si1A 1.993(11) . ?
C6 H6 0.968(16) . ?
C6 C7 1.413(2) . ?
C7 H7 0.980(18) . ?
C7 C8 1.365(2) . ?
C8 H8 0.929(18) . ?
C8 C9 1.416(2) . ?
C9 C10 1.418(2) . ?
C9 C14 1.4254(18) . ?
C10 H10 0.949(18) . ?
C10 C11 1.366(2) . ?
C11 H11 0.968(17) . ?
C11 C12 1.410(2) . ?
C12 H12 0.980(18) . ?
C12 C13 1.3798(19) . ?
C13 C14 1.4363(18) . ?
C13 Si2 1.8745(15) . ?
C13 Si2A 1.978(9) . ?
Si1 Si2 2.329(2) . ?
Si1 C1 1.878(3) . ?
Si1 C2 1.871(2) . ?
Si2 C3 1.869(2) . ?
Si2 C4 1.875(2) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
Si1A O1 1.600(12) . ?
Si1A C1A 1.88(2) . ?
Si1A C2A 1.864(17) . ?
Si2A O1 1.592(11) . ?
Si2A C3A 1.890(19) . ?
Si2A C4A 1.849(17) . ?
C1A H1AA 0.9600 . ?
C1A H1AB 0.9600 . ?
C1A H1AC 0.9600 . ?
C2A H2AA 0.9600 . ?
C2A H2AB 0.9600 . ?
C2A H2AC 0.9600 . ?
C3A H3AA 0.9600 . ?
C3A H3AB 0.9600 . ?
C3A H3AC 0.9600 . ?
C4A H4AA 0.9600 . ?
C4A H4AB 0.9600 . ?
C4A H4AC 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C5 C14 118.37(12) . . ?
C6 C5 Si1 124.87(11) . . ?
C6 C5 Si1A 116.7(3) . . ?
C14 C5 Si1 116.76(10) . . ?
C14 C5 Si1A 124.9(3) . . ?
C5 C6 H6 120.6(10) . . ?
C5 C6 C7 121.97(13) . . ?
C7 C6 H6 117.4(10) . . ?
C6 C7 H7 119.8(10) . . ?
C8 C7 C6 120.06(13) . . ?
C8 C7 H7 120.0(10) . . ?
C7 C8 H8 121.2(11) . . ?
C7 C8 C9 120.83(13) . . ?
C9 C8 H8 118.0(11) . . ?
C8 C9 C10 121.73(13) . . ?
C8 C9 C14 119.15(12) . . ?
C10 C9 C14 119.12(13) . . ?
C9 C10 H10 117.3(10) . . ?
C11 C10 C9 120.83(13) . . ?
C11 C10 H10 121.9(10) . . ?
C10 C11 H11 120.5(10) . . ?
C10 C11 C12 120.06(13) . . ?
C12 C11 H11 119.4(10) . . ?
C11 C12 H12 118.5(10) . . ?
C13 C12 C11 121.85(13) . . ?
C13 C12 H12 119.6(10) . . ?
C12 C13 C14 118.65(12) . . ?
C12 C13 Si2 124.29(11) . . ?
C12 C13 Si2A 114.8(3) . . ?
C14 C13 Si2 117.06(10) . . ?
C14 C13 Si2A 126.5(3) . . ?
C9 C14 C5 119.62(12) . . ?
C9 C14 C13 119.48(12) . . ?
C13 C14 C5 120.90(12) . . ?
C5 Si1 Si2 92.58(6) . . ?
C1 Si1 C5 110.00(16) . . ?
C1 Si1 Si2 117.6(2) . . ?
C2 Si1 C5 110.01(10) . . ?
C2 Si1 Si2 117.02(8) . . ?
C2 Si1 C1 108.3(2) . . ?
C13 Si2 Si1 92.69(6) . . ?
C13 Si2 C4 110.06(8) . . ?
C3 Si2 C13 108.73(12) . . ?
C3 Si2 Si1 117.00(7) . . ?
C3 Si2 C4 110.07(11) . . ?
C4 Si2 Si1 116.62(7) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O1 Si1A C5 107.4(6) . . ?
O1 Si1A C1A 99(2) . . ?
O1 Si1A C2A 110.0(12) . . ?
C1A Si1A C5 115(2) . . ?
C2A Si1A C5 111.0(12) . . ?
C2A Si1A C1A 114(3) . . ?
O1 Si2A C13 106.8(6) . . ?
O1 Si2A C3A 108.2(12) . . ?
O1 Si2A C4A 110.3(10) . . ?
C3A Si2A C13 108.6(13) . . ?
C4A Si2A C13 109.4(10) . . ?
C4A Si2A C3A 113.3(14) . . ?
Si2A O1 Si1A 133.4(9) . . ?
Si1A C1A H1AA 109.5 . . ?
Si1A C1A H1AB 109.5 . . ?
Si1A C1A H1AC 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
Si1A C2A H2AA 109.5 . . ?
Si1A C2A H2AB 109.5 . . ?
Si1A C2A H2AC 109.5 . . ?
H2AA C2A H2AB 109.5 . . ?
H2AA C2A H2AC 109.5 . . ?
H2AB C2A H2AC 109.5 . . ?
Si2A C3A H3AA 109.5 . . ?
Si2A C3A H3AB 109.5 . . ?
Si2A C3A H3AC 109.5 . . ?
H3AA C3A H3AB 109.5 . . ?
H3AA C3A H3AC 109.5 . . ?
H3AB C3A H3AC 109.5 . . ?
Si2A C4A H4AA 109.5 . . ?
Si2A C4A H4AB 109.5 . . ?
Si2A C4A H4AC 109.5 . . ?
H4AA C4A H4AB 109.5 . . ?
H4AA C4A H4AC 109.5 . . ?
H4AB C4A H4AC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C6 C7 C8 0.3(2) . . . . ?
C5 Si1A O1 Si2A -2.3(15) . . . . ?
C6 C5 C14 C9 -0.01(18) . . . . ?
C6 C5 C14 C13 -179.40(12) . . . . ?
C6 C5 Si1 Si2 -179.98(11) . . . . ?
C6 C5 Si1 C1 59.3(3) . . . . ?
C6 C5 Si1 C2 -59.95(15) . . . . ?
C6 C7 C8 C9 -0.1(2) . . . . ?
C7 C8 C9 C10 179.25(13) . . . . ?
C7 C8 C9 C14 -0.2(2) . . . . ?
C8 C9 C10 C11 -178.64(13) . . . . ?
C8 C9 C14 C5 0.25(19) . . . . ?
C8 C9 C14 C13 179.65(12) . . . . ?
C9 C10 C11 C12 -0.8(2) . . . . ?
C10 C9 C14 C5 -179.22(12) . . . . ?
C10 C9 C14 C13 0.18(18) . . . . ?
C10 C11 C12 C13 -0.2(2) . . . . ?
C11 C12 C13 C14 1.2(2) . . . . ?
C11 C12 C13 Si2 -179.59(11) . . . . ?
C11 C12 C13 Si2A -176.1(3) . . . . ?
C12 C13 C14 C5 178.22(12) . . . . ?
C12 C13 C14 C9 -1.17(18) . . . . ?
C12 C13 Si2 Si1 -178.36(11) . . . . ?
C12 C13 Si2 C3 -58.64(14) . . . . ?
C12 C13 Si2 C4 61.99(14) . . . . ?
C13 Si2A O1 Si1A 1.0(14) . . . . ?
C14 C5 C6 C7 -0.3(2) . . . . ?
C14 C5 Si1 Si2 0.06(10) . . . . ?
C14 C5 Si1 C1 -120.6(3) . . . . ?
C14 C5 Si1 C2 120.09(11) . . . . ?
C14 C9 C10 C11 0.8(2) . . . . ?
C14 C13 Si2 Si1 0.85(10) . . . . ?
C14 C13 Si2 C3 120.57(11) . . . . ?
C14 C13 Si2 C4 -118.80(12) . . . . ?
Si1 C5 C6 C7 179.76(11) . . . . ?
Si1 C5 C14 C9 179.95(10) . . . . ?
Si1 C5 C14 C13 0.56(16) . . . . ?
Si2 C13 C14 C5 -1.03(16) . . . . ?
Si2 C13 C14 C9 179.57(10) . . . . ?
Si1A C5 C6 C7 177.6(4) . . . . ?
Si1A C5 C14 C9 -177.8(4) . . . . ?
Si1A C5 C14 C13 2.9(4) . . . . ?
Si2A C13 C14 C5 -4.8(4) . . . . ?
Si2A C13 C14 C9 175.9(3) . . . . ?
C1A Si1A O1 Si2A 117(2) . . . . ?
C2A Si1A O1 Si2A -123.2(16) . . . . ?
C3A Si2A O1 Si1A -115.8(17) . . . . ?
C4A Si2A O1 Si1A 119.8(15) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.229
_oxdiff_exptl_absorpt_empirical_full_min 0.859
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cpd19
_database_code_depnum_ccdc_archive 'CCDC 1886595'
loop_
_audit_author_name
_audit_author_address
'Tilo Soehnel'
;University of Auckland
New Zealand
;
_audit_update_record             
;
2018-12-21 deposited with the CCDC.	2019-08-29 downloaded from the CCDC.
;
_audit_creation_date             2018-12-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3510 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H26 O Si2'
_chemical_formula_sum            'C34 H26 O Si2'
_chemical_formula_weight         506.73
_chemical_melting_point          ?
_chemical_oxdiff_formula         C34H26Si2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   20.0464(2)
_cell_length_b                   8.79710(10)
_cell_length_c                   44.8873(6)
_cell_angle_alpha                90
_cell_angle_beta                 95.6440(10)
_cell_angle_gamma                90
_cell_volume                     7877.51(16)
_cell_formula_units_Z            12
_cell_measurement_reflns_used    26034
_cell_measurement_temperature    99.9(7)
_cell_measurement_theta_max      74.4770
_cell_measurement_theta_min      3.9330
_shelx_estimated_absorpt_T_max   0.848
_shelx_estimated_absorpt_T_min   0.644
_exptl_absorpt_coefficient_mu    1.419
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72585
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3192
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            26277
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.245
_diffrn_reflns_theta_min         5.649
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.9(7)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -57.00 -22.00   0.50    0.61    --  -47.48  74.00 -28.00   70
  2  ω    -90.00 -65.00   0.50    2.43    --  -90.25  74.00 -28.00   50
  3  ω   -111.00 -18.00   0.50    2.43    --  -90.25  45.00 -30.00  186
  4  ω    -59.00 -27.00   0.50    0.61    --  -47.48 -57.00-180.00   64
  5  ω    -97.00 -72.00   0.50    0.61    --  -47.48 -74.00-156.00   50
  6  ω     48.00  73.00   0.50    0.61    --   47.48  74.00 -28.00   50
  7  ω     85.00 120.00   0.50    2.43    --  102.39  74.00 -28.00   70
  8  ω    142.00 169.00   0.50    2.43    --  102.39  74.00 -28.00   54
  9  ω    122.00 177.00   0.50    2.43    --  102.39  45.00 -90.00  110
 10  ω    132.00 177.00   0.50    2.43    --  102.39  45.00-120.00   90
 11  ω    128.00 164.00   0.50    2.43    --  102.39 111.00-180.00   72
 12  ω     86.00 114.00   0.50    2.43    --  102.39  45.00-120.00   56
 13  ω     44.00 124.00   0.50    2.43    --  102.39 -61.00-150.00  160
 14  ω     53.00  78.00   0.50    2.43    --  102.39 -74.00-156.00   50
 15  ω     -2.00  23.00   0.50    0.61    --   47.48 -74.00-156.00   50
 16  ω     87.00 172.00   0.50    2.43    --  102.39  30.00  60.00  170
 17  ω    109.00 134.00   0.50    2.43    --  102.39 111.00  90.00   50
 18  ω     33.00  95.00   0.50    0.61    --   47.48-125.00  90.00  124
 19  ω   -113.00 -70.00   0.50    0.61    --  -47.48-125.00  90.00   86
 20  ω   -113.00 -87.00   0.50    0.61    --  -47.48-125.00 120.00   52
 21  ω   -123.00 -98.00   0.50    0.61    --  -47.48-125.00 -90.00   50
 22  ω   -121.00 -90.00   0.50    0.61    --  -47.48 -57.00-180.00   62
 23  ω   -161.00 -68.00   0.50    2.43    --  -90.25 -61.00-180.00  186
 24  ω   -104.00 -22.00   0.50    2.43    --  -90.25  30.00 120.00  164
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0766865000
_diffrn_orient_matrix_UB_12      -0.0062539000
_diffrn_orient_matrix_UB_13      0.0004258000
_diffrn_orient_matrix_UB_21      -0.0027176000
_diffrn_orient_matrix_UB_22      -0.1427315000
_diffrn_orient_matrix_UB_23      -0.0199735000
_diffrn_orient_matrix_UB_31      0.0085362000
_diffrn_orient_matrix_UB_32      -0.1012719000
_diffrn_orient_matrix_UB_33      0.0281206000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6849
_reflns_number_total             7144
_reflns_odcompleteness_completeness 99.37
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.62
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.305
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         7144
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0298
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0336P)²+9.1704P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0760
_refine_ls_wR_factor_ref         0.0766
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32),
 C33(H33), C34(H34), C1'(H1'), C2'(H2'), C3'(H3'), C4'(H4'), C5'(H5'), C8'(H8'),
  C9'(H9'), C10'(H10'), C11'(H11'), C12'(H12'), C14'(H14'), C15'(H15'),
 C16'(H16')
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.97046(2) 0.30200(4) 0.14806(2) 0.01266(8) Uani 1 1 d . . . . .
Si2 Si 1.10215(2) 0.19729(4) 0.17703(2) 0.01294(8) Uani 1 1 d . . . . .
O1 O 1.05229(4) 0.29769(10) 0.15364(2) 0.01499(18) Uani 1 1 d . . . . .
C1 C 0.95577(7) 0.59004(16) 0.12162(3) 0.0255(3) Uani 1 1 d . . . . .
H1 H 0.976168 0.542572 0.105805 0.031 Uiso 1 1 calc R . . . .
C2 C 0.93983(8) 0.74368(18) 0.11953(4) 0.0355(4) Uani 1 1 d . . . . .
H2 H 0.949773 0.800598 0.102535 0.043 Uiso 1 1 calc R . . . .
C3 C 0.90944(8) 0.81340(17) 0.14227(4) 0.0367(4) Uani 1 1 d . . . . .
H3 H 0.898451 0.918381 0.140925 0.044 Uiso 1 1 calc R . . . .
C4 C 0.89513(8) 0.73050(18) 0.16687(4) 0.0353(4) Uani 1 1 d . . . . .
H4 H 0.873744 0.778359 0.182351 0.042 Uiso 1 1 calc R . . . .
C5 C 0.91181(7) 0.57689(17) 0.16923(3) 0.0262(3) Uani 1 1 d . . . . .
H5 H 0.902261 0.521265 0.186443 0.031 Uiso 1 1 calc R . . . .
C6 C 0.94239(6) 0.50399(14) 0.14653(3) 0.0174(3) Uani 1 1 d . . . . .
C7 C 0.94690(6) 0.21246(14) 0.11079(3) 0.0154(2) Uani 1 1 d . . . . .
C8 C 0.88199(7) 0.22578(17) 0.09642(3) 0.0224(3) Uani 1 1 d . . . . .
H8 H 0.849678 0.284425 0.105474 0.027 Uiso 1 1 calc R . . . .
C9 C 0.86394(7) 0.15497(19) 0.06922(3) 0.0298(3) Uani 1 1 d . . . . .
H9 H 0.819470 0.164488 0.059931 0.036 Uiso 1 1 calc R . . . .
C10 C 0.91064(8) 0.07041(18) 0.05558(3) 0.0280(3) Uani 1 1 d . . . . .
H10 H 0.898252 0.021807 0.036952 0.034 Uiso 1 1 calc R . . . .
C11 C 0.97528(7) 0.05693(16) 0.06912(3) 0.0238(3) Uani 1 1 d . . . . .
H11 H 1.007418 -0.000631 0.059730 0.029 Uiso 1 1 calc R . . . .
C12 C 0.99347(7) 0.12744(15) 0.09648(3) 0.0187(3) Uani 1 1 d . . . . .
H12 H 1.038106 0.117765 0.105569 0.022 Uiso 1 1 calc R . . . .
C13 C 0.93652(6) 0.19477(14) 0.17936(3) 0.0142(2) Uani 1 1 d . . . . .
C14 C 0.86749(6) 0.19325(15) 0.17970(3) 0.0177(3) Uani 1 1 d . . . . .
H14 H 0.840854 0.250914 0.165108 0.021 Uiso 1 1 calc R . . . .
C15 C 0.83533(6) 0.10923(15) 0.20090(3) 0.0194(3) Uani 1 1 d . . . . .
H15 H 0.787839 0.109966 0.200338 0.023 Uiso 1 1 calc R . . . .
C16 C 0.87268(7) 0.02694(15) 0.22220(3) 0.0192(3) Uani 1 1 d . . . . .
H16 H 0.850930 -0.028517 0.236614 0.023 Uiso 1 1 calc R . . . .
C17 C 0.94359(6) 0.02301(14) 0.22313(3) 0.0170(3) Uani 1 1 d . . . . .
C18 C 0.97680(6) 0.10758(14) 0.20165(3) 0.0142(2) Uani 1 1 d . . . . .
C19 C 0.98139(7) -0.06750(16) 0.24476(3) 0.0216(3) Uani 1 1 d . . . . .
H19 H 0.958987 -0.122741 0.258997 0.026 Uiso 1 1 calc R . . . .
C20 C 1.04950(7) -0.07658(16) 0.24549(3) 0.0223(3) Uani 1 1 d . . . . .
H20 H 1.074356 -0.138536 0.259939 0.027 Uiso 1 1 calc R . . . .
C21 C 1.08244(6) 0.00687(15) 0.22458(3) 0.0184(3) Uani 1 1 d . . . . .
H21 H 1.129848 -0.000269 0.225236 0.022 Uiso 1 1 calc R . . . .
C22 C 1.04869(6) 0.09905(14) 0.20307(3) 0.0147(2) Uani 1 1 d . . . . .
C23 C 1.14616(6) 0.04886(15) 0.15670(3) 0.0163(3) Uani 1 1 d . . . . .
C24 C 1.20710(6) 0.07734(15) 0.14486(3) 0.0192(3) Uani 1 1 d . . . . .
H24 H 1.229620 0.170984 0.149161 0.023 Uiso 1 1 calc R . . . .
C25 C 1.23507(7) -0.02922(16) 0.12694(3) 0.0225(3) Uani 1 1 d . . . . .
H25 H 1.276185 -0.007733 0.118936 0.027 Uiso 1 1 calc R . . . .
C26 C 1.20311(7) -0.16664(17) 0.12074(3) 0.0243(3) Uani 1 1 d . . . . .
H26 H 1.222434 -0.239775 0.108601 0.029 Uiso 1 1 calc R . . . .
C27 C 1.14283(7) -0.19759(16) 0.13227(3) 0.0262(3) Uani 1 1 d . . . . .
H27 H 1.120777 -0.291780 0.127958 0.031 Uiso 1 1 calc R . . . .
C28 C 1.11476(7) -0.09093(16) 0.15008(3) 0.0214(3) Uani 1 1 d . . . . .
H28 H 1.073535 -0.113139 0.157931 0.026 Uiso 1 1 calc R . . . .
C29 C 1.16339(6) 0.33606(15) 0.19557(3) 0.0156(2) Uani 1 1 d . . . . .
C30 C 1.14845(7) 0.49167(15) 0.19493(3) 0.0194(3) Uani 1 1 d . . . . .
H30 H 1.106286 0.525155 0.185751 0.023 Uiso 1 1 calc R . . . .
C31 C 1.19426(7) 0.59801(16) 0.20752(3) 0.0243(3) Uani 1 1 d . . . . .
H31 H 1.183303 0.703099 0.206853 0.029 Uiso 1 1 calc R . . . .
C32 C 1.25603(7) 0.55043(17) 0.22106(3) 0.0240(3) Uani 1 1 d . . . . .
H32 H 1.287339 0.622826 0.229705 0.029 Uiso 1 1 calc R . . . .
C33 C 1.27183(7) 0.39706(17) 0.22190(3) 0.0233(3) Uani 1 1 d . . . . .
H33 H 1.314054 0.364247 0.231132 0.028 Uiso 1 1 calc R . . . .
C34 C 1.22601(7) 0.29124(16) 0.20928(3) 0.0199(3) Uani 1 1 d . . . . .
H34 H 1.237400 0.186393 0.209965 0.024 Uiso 1 1 calc R . . . .
Si1' Si 1.19357(2) 0.24450(4) 0.01878(2) 0.01282(8) Uani 1 1 d . . . . .
O1' O 1.250000 0.32622(13) 0.000000 0.0148(2) Uani 1 2 d S T P . .
C1' C 1.14189(6) 0.35888(14) 0.07160(3) 0.0180(3) Uani 1 1 d . . . . .
H1' H 1.098825 0.343985 0.061156 0.022 Uiso 1 1 calc R . . . .
C2' C 1.14702(7) 0.41543(15) 0.10065(3) 0.0212(3) Uani 1 1 d . . . . .
H2' H 1.107644 0.437794 0.109989 0.025 Uiso 1 1 calc R . . . .
C3' C 1.20953(7) 0.43915(15) 0.11598(3) 0.0222(3) Uani 1 1 d . . . . .
H3' H 1.213027 0.479242 0.135720 0.027 Uiso 1 1 calc R . . . .
C4' C 1.26712(7) 0.40440(16) 0.10252(3) 0.0216(3) Uani 1 1 d . . . . .
H4' H 1.310009 0.420352 0.113047 0.026 Uiso 1 1 calc R . . . .
C5' C 1.26183(6) 0.34635(15) 0.07366(3) 0.0190(3) Uani 1 1 d . . . . .
H5' H 1.301410 0.321568 0.064678 0.023 Uiso 1 1 calc R . . . .
C6' C 1.19914(6) 0.32354(14) 0.05747(3) 0.0155(2) Uani 1 1 d . . . . .
C7' C 1.11030(6) 0.28963(14) -0.00177(3) 0.0154(2) Uani 1 1 d . . . . .
C8' C 1.05199(6) 0.20726(15) 0.00206(3) 0.0189(3) Uani 1 1 d . . . . .
H8' H 1.054451 0.121997 0.015114 0.023 Uiso 1 1 calc R . . . .
C9' C 0.99073(7) 0.24792(16) -0.01284(3) 0.0223(3) Uani 1 1 d . . . . .
H9' H 0.951623 0.191242 -0.009813 0.027 Uiso 1 1 calc R . . . .
C10' C 0.98650(7) 0.37119(16) -0.03215(3) 0.0228(3) Uani 1 1 d . . . . .
H10' H 0.944587 0.398285 -0.042519 0.027 Uiso 1 1 calc R . . . .
C11' C 1.04335(7) 0.45495(16) -0.03635(3) 0.0214(3) Uani 1 1 d . . . . .
H11' H 1.040447 0.539889 -0.049480 0.026 Uiso 1 1 calc R . . . .
C12' C 1.10463(6) 0.41427(15) -0.02128(3) 0.0178(3) Uani 1 1 d . . . . .
H12' H 1.143429 0.472128 -0.024262 0.021 Uiso 1 1 calc R . . . .
C13' C 1.21088(6) 0.03528(14) 0.02042(3) 0.0154(3) Uani 1 1 d . . . . .
C14' C 1.17904(6) -0.04911(15) 0.04088(3) 0.0190(3) Uani 1 1 d . . . . .
H14' H 1.154680 0.002496 0.054922 0.023 Uiso 1 1 calc R . . . .
C15' C 1.18164(7) -0.20935(16) 0.04152(3) 0.0223(3) Uani 1 1 d . . . . .
H15' H 1.160047 -0.264052 0.056092 0.027 Uiso 1 1 calc R . . . .
C16' C 1.21527(7) -0.28549(15) 0.02114(3) 0.0224(3) Uani 1 1 d . . . . .
H16' H 1.215385 -0.393481 0.021122 0.027 Uiso 1 1 calc R . . . .
C17' C 1.250000 -0.2059(2) 0.000000 0.0188(4) Uani 1 2 d S T P . .
C18' C 1.250000 -0.0428(2) 0.000000 0.0150(3) Uani 1 2 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 O1 1.6353(9) . ?
Si1 C6 1.8630(13) . ?
Si1 C7 1.8674(13) . ?
Si1 C13 1.8747(13) . ?
Si2 O1 1.6355(9) . ?
Si2 C22 1.8732(13) . ?
Si2 C23 1.8640(13) . ?
Si2 C29 1.8679(13) . ?
C1 H1 0.9500 . ?
C1 C2 1.390(2) . ?
C1 C6 1.3981(19) . ?
C2 H2 0.9500 . ?
C2 C3 1.382(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.377(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.394(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.3956(19) . ?
C7 C8 1.3991(18) . ?
C7 C12 1.4007(18) . ?
C8 H8 0.9500 . ?
C8 C9 1.387(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.385(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.381(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.3922(19) . ?
C12 H12 0.9500 . ?
C13 C14 1.3853(18) . ?
C13 C18 1.4429(17) . ?
C14 H14 0.9500 . ?
C14 C15 1.4101(19) . ?
C15 H15 0.9500 . ?
C15 C16 1.3630(19) . ?
C16 H16 0.9500 . ?
C16 C17 1.4183(18) . ?
C17 C18 1.4327(17) . ?
C17 C19 1.4166(19) . ?
C18 C22 1.4383(17) . ?
C19 H19 0.9500 . ?
C19 C20 1.365(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.4062(19) . ?
C21 H21 0.9500 . ?
C21 C22 1.3852(18) . ?
C23 C24 1.4020(18) . ?
C23 C28 1.3998(19) . ?
C24 H24 0.9500 . ?
C24 C25 1.3887(19) . ?
C25 H25 0.9500 . ?
C25 C26 1.384(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.387(2) . ?
C27 H27 0.9500 . ?
C27 C28 1.388(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.4010(19) . ?
C29 C34 1.3992(18) . ?
C30 H30 0.9500 . ?
C30 C31 1.3912(19) . ?
C31 H31 0.9500 . ?
C31 C32 1.389(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.386(2) . ?
C33 H33 0.9500 . ?
C33 C34 1.3889(19) . ?
C34 H34 0.9500 . ?
Si1' O1' 1.6413(6) . ?
Si1' C6' 1.8642(13) . ?
Si1' C7' 1.8688(13) . ?
Si1' C13' 1.8730(13) . ?
C1' H1' 0.9500 . ?
C1' C2' 1.3901(19) . ?
C1' C6' 1.3996(18) . ?
C2' H2' 0.9500 . ?
C2' C3' 1.385(2) . ?
C3' H3' 0.9500 . ?
C3' C4' 1.389(2) . ?
C4' H4' 0.9500 . ?
C4' C5' 1.3868(19) . ?
C5' H5' 0.9500 . ?
C5' C6' 1.4027(18) . ?
C7' C8' 1.4002(18) . ?
C7' C12' 1.4008(18) . ?
C8' H8' 0.9500 . ?
C8' C9' 1.3864(19) . ?
C9' H9' 0.9500 . ?
C9' C10' 1.386(2) . ?
C10' H10' 0.9500 . ?
C10' C11' 1.385(2) . ?
C11' H11' 0.9500 . ?
C11' C12' 1.3897(18) . ?
C12' H12' 0.9500 . ?
C13' C14' 1.3846(18) . ?
C13' C18' 1.4382(15) . ?
C14' H14' 0.9500 . ?
C14' C15' 1.4108(19) . ?
C15' H15' 0.9500 . ?
C15' C16' 1.364(2) . ?
C16' H16' 0.9500 . ?
C16' C17' 1.4160(17) . ?
C17' C18' 1.435(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Si1 C6 108.81(5) . . ?
O1 Si1 C7 106.79(5) . . ?
O1 Si1 C13 107.82(5) . . ?
C6 Si1 C7 108.69(6) . . ?
C6 Si1 C13 112.15(6) . . ?
C7 Si1 C13 112.38(5) . . ?
O1 Si2 C22 107.38(5) . . ?
O1 Si2 C23 110.66(5) . . ?
O1 Si2 C29 105.45(5) . . ?
C23 Si2 C22 108.04(6) . . ?
C23 Si2 C29 110.74(6) . . ?
C29 Si2 C22 114.50(5) . . ?
Si1 O1 Si2 130.65(6) . . ?
C2 C1 H1 119.4 . . ?
C2 C1 C6 121.30(14) . . ?
C6 C1 H1 119.4 . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.79(15) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 119.92(14) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.47(15) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.64(14) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 Si1 117.71(10) . . ?
C5 C6 Si1 124.34(10) . . ?
C5 C6 C1 117.88(13) . . ?
C8 C7 Si1 121.29(10) . . ?
C8 C7 C12 117.71(12) . . ?
C12 C7 Si1 120.99(10) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 C7 121.23(13) . . ?
C9 C8 H8 119.4 . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.10(13) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.82(13) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.20(13) . . ?
C12 C11 H11 119.9 . . ?
C7 C12 H12 119.5 . . ?
C11 C12 C7 120.93(12) . . ?
C11 C12 H12 119.5 . . ?
C14 C13 Si1 116.70(9) . . ?
C14 C13 C18 118.61(11) . . ?
C18 C13 Si1 124.57(9) . . ?
C13 C14 H14 118.8 . . ?
C13 C14 C15 122.39(12) . . ?
C15 C14 H14 118.8 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.72(12) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 119.6 . . ?
C15 C16 C17 120.89(12) . . ?
C17 C16 H16 119.6 . . ?
C16 C17 C18 119.88(12) . . ?
C19 C17 C16 120.06(12) . . ?
C19 C17 C18 120.04(12) . . ?
C17 C18 C13 118.50(11) . . ?
C17 C18 C22 118.22(11) . . ?
C22 C18 C13 123.27(11) . . ?
C17 C19 H19 119.5 . . ?
C20 C19 C17 121.04(12) . . ?
C20 C19 H19 119.5 . . ?
C19 C20 H20 120.4 . . ?
C19 C20 C21 119.20(12) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 H21 118.6 . . ?
C22 C21 C20 122.79(12) . . ?
C22 C21 H21 118.6 . . ?
C18 C22 Si2 125.48(9) . . ?
C21 C22 Si2 115.78(9) . . ?
C21 C22 C18 118.69(11) . . ?
C24 C23 Si2 122.17(10) . . ?
C28 C23 Si2 119.65(10) . . ?
C28 C23 C24 117.84(12) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 C23 121.02(13) . . ?
C25 C24 H24 119.5 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.07(13) . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 119.97(13) . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 119.97(13) . . ?
C28 C27 H27 120.0 . . ?
C23 C28 H28 119.4 . . ?
C27 C28 C23 121.13(12) . . ?
C27 C28 H28 119.4 . . ?
C30 C29 Si2 119.98(10) . . ?
C34 C29 Si2 122.25(10) . . ?
C34 C29 C30 117.72(12) . . ?
C29 C30 H30 119.4 . . ?
C31 C30 C29 121.16(13) . . ?
C31 C30 H30 119.4 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 119.96(13) . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.1 . . ?
C33 C32 C31 119.80(13) . . ?
C33 C32 H32 120.1 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.08(13) . . ?
C34 C33 H33 120.0 . . ?
C29 C34 H34 119.4 . . ?
C33 C34 C29 121.28(13) . . ?
C33 C34 H34 119.4 . . ?
O1' Si1' C6' 109.51(5) . . ?
O1' Si1' C7' 106.31(4) . . ?
O1' Si1' C13' 108.44(6) . . ?
C6' Si1' C7' 110.45(6) . . ?
C6' Si1' C13' 109.62(5) . . ?
C7' Si1' C13' 112.41(5) . . ?
Si1' O1' Si1' 128.05(8) . 2_755 ?
C2' C1' H1' 119.5 . . ?
C2' C1' C6' 121.07(12) . . ?
C6' C1' H1' 119.5 . . ?
C1' C2' H2' 120.0 . . ?
C3' C2' C1' 119.98(12) . . ?
C3' C2' H2' 120.0 . . ?
C2' C3' H3' 120.0 . . ?
C2' C3' C4' 120.07(12) . . ?
C4' C3' H3' 120.0 . . ?
C3' C4' H4' 120.1 . . ?
C5' C4' C3' 119.81(12) . . ?
C5' C4' H4' 120.1 . . ?
C4' C5' H5' 119.4 . . ?
C4' C5' C6' 121.25(12) . . ?
C6' C5' H5' 119.4 . . ?
C1' C6' Si1' 121.89(10) . . ?
C1' C6' C5' 117.80(12) . . ?
C5' C6' Si1' 120.29(9) . . ?
C8' C7' Si1' 123.05(10) . . ?
C8' C7' C12' 117.68(12) . . ?
C12' C7' Si1' 119.24(10) . . ?
C7' C8' H8' 119.4 . . ?
C9' C8' C7' 121.18(12) . . ?
C9' C8' H8' 119.4 . . ?
C8' C9' H9' 120.0 . . ?
C10' C9' C8' 120.03(13) . . ?
C10' C9' H9' 120.0 . . ?
C9' C10' H10' 120.0 . . ?
C11' C10' C9' 120.05(12) . . ?
C11' C10' H10' 120.0 . . ?
C10' C11' H11' 120.1 . . ?
C10' C11' C12' 119.76(13) . . ?
C12' C11' H11' 120.1 . . ?
C7' C12' H12' 119.4 . . ?
C11' C12' C7' 121.28(12) . . ?
C11' C12' H12' 119.4 . . ?
C14' C13' Si1' 117.22(10) . . ?
C14' C13' C18' 118.85(12) . . ?
C18' C13' Si1' 123.68(10) . . ?
C13' C14' H14' 119.0 . . ?
C13' C14' C15' 122.06(13) . . ?
C15' C14' H14' 119.0 . . ?
C14' C15' H15' 120.1 . . ?
C16' C15' C14' 119.77(13) . . ?
C16' C15' H15' 120.1 . . ?
C15' C16' H16' 119.5 . . ?
C15' C16' C17' 120.96(13) . . ?
C17' C16' H16' 119.5 . . ?
C16' C17' C16' 120.73(17) . 2_755 ?
C16' C17' C18' 119.64(9) . . ?
C16' C17' C18' 119.64(9) 2_755 . ?
C13' C18' C13' 122.95(16) 2_755 . ?
C17' C18' C13' 118.53(8) . . ?
C17' C18' C13' 118.53(8) . 2_755 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si1 C7 C8 C9 -177.81(11) . . . . ?
Si1 C7 C12 C11 178.04(10) . . . . ?
Si1 C13 C14 C15 176.02(10) . . . . ?
Si1 C13 C18 C17 -175.89(9) . . . . ?
Si1 C13 C18 C22 2.96(17) . . . . ?
Si2 C23 C24 C25 -172.67(10) . . . . ?
Si2 C23 C28 C27 173.06(11) . . . . ?
Si2 C29 C30 C31 -177.40(10) . . . . ?
Si2 C29 C34 C33 177.44(10) . . . . ?
O1 Si1 C6 C1 70.23(11) . . . . ?
O1 Si1 C6 C5 -106.58(12) . . . . ?
O1 Si1 C7 C8 -166.61(10) . . . . ?
O1 Si1 C7 C12 14.43(12) . . . . ?
O1 Si1 C13 C14 176.15(9) . . . . ?
O1 Si1 C13 C18 -7.79(12) . . . . ?
O1 Si2 C22 C18 2.07(12) . . . . ?
O1 Si2 C22 C21 179.57(9) . . . . ?
O1 Si2 C23 C24 88.03(11) . . . . ?
O1 Si2 C23 C28 -85.07(11) . . . . ?
O1 Si2 C29 C30 18.91(11) . . . . ?
O1 Si2 C29 C34 -158.33(10) . . . . ?
C1 C2 C3 C4 0.0(2) . . . . ?
C2 C1 C6 Si1 -176.41(11) . . . . ?
C2 C1 C6 C5 0.6(2) . . . . ?
C2 C3 C4 C5 0.8(2) . . . . ?
C3 C4 C5 C6 -0.9(2) . . . . ?
C4 C5 C6 Si1 177.01(11) . . . . ?
C4 C5 C6 C1 0.2(2) . . . . ?
C6 Si1 O1 Si2 133.24(7) . . . . ?
C6 Si1 C7 C8 -49.37(12) . . . . ?
C6 Si1 C7 C12 131.66(10) . . . . ?
C6 Si1 C13 C14 56.38(11) . . . . ?
C6 Si1 C13 C18 -127.57(10) . . . . ?
C6 C1 C2 C3 -0.7(2) . . . . ?
C7 Si1 O1 Si2 -109.61(8) . . . . ?
C7 Si1 C6 C1 -45.71(12) . . . . ?
C7 Si1 C6 C5 137.48(11) . . . . ?
C7 Si1 C13 C14 -66.43(11) . . . . ?
C7 Si1 C13 C18 109.63(11) . . . . ?
C7 C8 C9 C10 -0.7(2) . . . . ?
C8 C7 C12 C11 -0.96(19) . . . . ?
C8 C9 C10 C11 -0.1(2) . . . . ?
C9 C10 C11 C12 0.3(2) . . . . ?
C10 C11 C12 C7 0.2(2) . . . . ?
C12 C7 C8 C9 1.2(2) . . . . ?
C13 Si1 O1 Si2 11.37(9) . . . . ?
C13 Si1 C6 C1 -170.57(10) . . . . ?
C13 Si1 C6 C5 12.61(13) . . . . ?
C13 Si1 C7 C8 75.36(12) . . . . ?
C13 Si1 C7 C12 -103.60(11) . . . . ?
C13 C14 C15 C16 0.65(19) . . . . ?
C13 C18 C22 Si2 0.16(17) . . . . ?
C13 C18 C22 C21 -177.27(11) . . . . ?
C14 C13 C18 C17 0.10(17) . . . . ?
C14 C13 C18 C22 178.95(11) . . . . ?
C14 C15 C16 C17 -0.81(19) . . . . ?
C15 C16 C17 C18 0.63(19) . . . . ?
C15 C16 C17 C19 -177.73(12) . . . . ?
C16 C17 C18 C13 -0.26(17) . . . . ?
C16 C17 C18 C22 -179.17(11) . . . . ?
C16 C17 C19 C20 178.00(13) . . . . ?
C17 C18 C22 Si2 179.02(9) . . . . ?
C17 C18 C22 C21 1.58(17) . . . . ?
C17 C19 C20 C21 0.7(2) . . . . ?
C18 C13 C14 C15 -0.28(18) . . . . ?
C18 C17 C19 C20 -0.4(2) . . . . ?
C19 C17 C18 C13 178.10(11) . . . . ?
C19 C17 C18 C22 -0.81(17) . . . . ?
C19 C20 C21 C22 0.1(2) . . . . ?
C20 C21 C22 Si2 -178.94(10) . . . . ?
C20 C21 C22 C18 -1.26(19) . . . . ?
C22 Si2 O1 Si1 -9.03(9) . . . . ?
C22 Si2 C23 C24 -154.67(10) . . . . ?
C22 Si2 C23 C28 32.22(12) . . . . ?
C22 Si2 C29 C30 -98.90(11) . . . . ?
C22 Si2 C29 C34 83.86(11) . . . . ?
C23 Si2 O1 Si1 108.67(8) . . . . ?
C23 Si2 C22 C18 -117.32(11) . . . . ?
C23 Si2 C22 C21 60.18(11) . . . . ?
C23 Si2 C29 C30 138.66(10) . . . . ?
C23 Si2 C29 C34 -38.59(12) . . . . ?
C23 C24 C25 C26 -0.6(2) . . . . ?
C24 C23 C28 C27 -0.3(2) . . . . ?
C24 C25 C26 C27 0.4(2) . . . . ?
C25 C26 C27 C28 -0.2(2) . . . . ?
C26 C27 C28 C23 0.2(2) . . . . ?
C28 C23 C24 C25 0.56(19) . . . . ?
C29 Si2 O1 Si1 -131.53(7) . . . . ?
C29 Si2 C22 C18 118.78(11) . . . . ?
C29 Si2 C22 C21 -63.71(11) . . . . ?
C29 Si2 C23 C24 -28.54(12) . . . . ?
C29 Si2 C23 C28 158.36(10) . . . . ?
C29 C30 C31 C32 -0.1(2) . . . . ?
C30 C29 C34 C33 0.13(19) . . . . ?
C30 C31 C32 C33 0.2(2) . . . . ?
C31 C32 C33 C34 -0.1(2) . . . . ?
C32 C33 C34 C29 -0.1(2) . . . . ?
C34 C29 C30 C31 -0.03(19) . . . . ?
Si1' C7' C8' C9' 177.68(10) . . . . ?
Si1' C7' C12' C11' -178.04(10) . . . . ?
Si1' C13' C14' C15' 171.93(10) . . . . ?
Si1' C13' C18' C13' 10.96(5) . . . 2_755 ?
Si1' C13' C18' C17' -169.05(5) . . . . ?
O1' Si1' C6' C1' 138.14(10) . . . . ?
O1' Si1' C6' C5' -43.26(12) . . . . ?
O1' Si1' C7' C8' 161.40(10) . . . . ?
O1' Si1' C7' C12' -20.74(11) . . . . ?
O1' Si1' C13' C14' 165.47(9) . . . . ?
O1' Si1' C13' C18' -20.36(9) . . . . ?
C1' C2' C3' C4' -1.0(2) . . . . ?
C2' C1' C6' Si1' 178.95(10) . . . . ?
C2' C1' C6' C5' 0.31(19) . . . . ?
C2' C3' C4' C5' 0.2(2) . . . . ?
C3' C4' C5' C6' 0.8(2) . . . . ?
C4' C5' C6' Si1' -179.73(10) . . . . ?
C4' C5' C6' C1' -1.07(19) . . . . ?
C6' Si1' O1' Si1' 127.80(5) . . . 2_755 ?
C6' Si1' C7' C8' -79.88(12) . . . . ?
C6' Si1' C7' C12' 97.98(11) . . . . ?
C6' Si1' C13' C14' 45.96(11) . . . . ?
C6' Si1' C13' C18' -139.88(8) . . . . ?
C6' C1' C2' C3' 0.7(2) . . . . ?
C7' Si1' O1' Si1' -112.87(4) . . . 2_755 ?
C7' Si1' C6' C1' 21.39(12) . . . . ?
C7' Si1' C6' C5' -160.00(10) . . . . ?
C7' Si1' C13' C14' -77.29(11) . . . . ?
C7' Si1' C13' C18' 96.87(9) . . . . ?
C7' C8' C9' C10' 0.6(2) . . . . ?
C8' C7' C12' C11' -0.06(19) . . . . ?
C8' C9' C10' C11' -0.7(2) . . . . ?
C9' C10' C11' C12' 0.4(2) . . . . ?
C10' C11' C12' C7' 0.0(2) . . . . ?
C12' C7' C8' C9' -0.21(19) . . . . ?
C13' Si1' O1' Si1' 8.21(4) . . . 2_755 ?
C13' Si1' C6' C1' -103.00(11) . . . . ?
C13' Si1' C6' C5' 75.60(11) . . . . ?
C13' Si1' C7' C8' 42.90(12) . . . . ?
C13' Si1' C7' C12' -139.23(10) . . . . ?
C13' C14' C15' C16' -1.3(2) . . . . ?
C14' C13' C18' C13' -174.96(12) . . . 2_755 ?
C14' C13' C18' C17' 5.03(12) . . . . ?
C14' C15' C16' C17' 2.53(19) . . . . ?
C15' C16' C17' C16' -179.90(14) . . . 2_755 ?
C15' C16' C17' C18' 0.10(14) . . . . ?
C16' C17' C18' C13' 176.11(8) . . . 2_755 ?
C16' C17' C18' C13' -3.88(8) . . . . ?
C16' C17' C18' C13' -3.89(8) 2_755 . . 2_755 ?
C16' C17' C18' C13' 176.12(8) 2_755 . . . ?
C18' C13' C14' C15' -2.53(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.498
_oxdiff_exptl_absorpt_empirical_full_min 0.671
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3me
_database_code_depnum_ccdc_archive 'CCDC 1937007'
loop_
_audit_author_name
_audit_author_address
'Tilo Soehnel'
;University of Auckland
New Zealand
;
_audit_update_record             
;
2019-06-28 deposited with the CCDC.	2019-08-29 downloaded from the CCDC.
;
_audit_creation_date             2019-06-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3510 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H18 O Si2'
_chemical_formula_sum            'C14 H18 O Si2'
_chemical_formula_weight         258.46
_chemical_melting_point          ?
_chemical_oxdiff_formula         C28H38O2Si4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.20007(13)
_cell_length_b                   12.30177(13)
_cell_length_c                   12.38995(13)
_cell_angle_alpha                116.7870(10)
_cell_angle_beta                 96.6352(9)
_cell_angle_gamma                112.9004(10)
_cell_volume                     1430.24(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    31036
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      74.0630
_cell_measurement_theta_min      4.1770
_shelx_estimated_absorpt_T_max   0.757
_shelx_estimated_absorpt_T_min   0.704
_exptl_absorpt_coefficient_mu    2.102
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98240
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.23a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.0197
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            43511
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.228
_diffrn_reflns_theta_min         6.544
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      101(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -88.00  -6.00   0.50    0.12    --  -47.48 120.00 -81.00  164
  2  ω   -111.00 -29.00   0.50    0.12    --  -47.48 156.00  74.00  164
  3  ω   -123.00 -98.00   0.50    0.12    --  -47.48-120.00-165.00   50
  4  ω    -80.00 -55.00   0.50    0.12    --  -47.48-156.00  38.00   50
  5  ω     58.00  83.00   0.50    0.12    --   47.48-156.00  38.00   50
  6  ω     35.00  63.00   0.50    0.12    --   47.48-120.00-165.00   56
  7  ω     73.00  98.00   0.50    0.12    --   47.48 156.00  74.00   50
  8  ω    -74.00 -49.00   0.50    0.47    --  -90.25 120.00 -81.00   50
  9  ω    -93.00 -68.00   0.50    0.47    --  -90.25 156.00  74.00   50
 10  ω   -145.00 -99.00   0.50    0.47    --  -90.25-156.00  38.00   92
 11  ω   -145.00-120.00   0.50    0.47    --  -90.25-120.00-165.00   50
 12  ω     82.00 118.00   0.50    0.47    --  101.53 156.00  74.00   72
 13  ω     92.00 117.00   0.50    0.47    --  101.53-156.00  38.00   50
 14  ω     47.00 114.00   0.50    0.47    --  101.53-120.00-165.00  134
 15  ω     95.00 129.00   0.50    0.47    --  101.53 120.00 -81.00   68
 16  ω    -56.00 -31.00   0.50    0.12    --   14.00 156.00 -61.99   50
 17  ω    -12.00  24.00   0.50    0.12    --   22.00  95.00 173.72   72
 18  ω     -9.00  16.00   0.50    0.12    --   30.00 102.00 -46.74   50
 19  ω      5.00  31.00   0.50    0.12    --   42.00  98.00 -32.02   52
 20  ω      6.00  31.00   0.50    0.12    --   42.00  97.00 112.10   50
 21  ω    -60.00 -24.00   0.50    0.12    --  -47.48 -19.00-180.00   72
 22  ω    -89.00 -58.00   0.50    0.12    --  -47.48 -38.00 120.00   62
 23  ω    -81.00 -25.00   0.50    0.12    --  -47.48 -19.00 -90.00  112
 24  ω   -123.00 -86.00   0.50    0.12    --  -47.48 -19.00 -90.00   74
 25  ω   -107.00 -80.00   0.50    0.12    --  -47.48 -19.00-180.00   54
 26  ω    -56.00 -28.00   0.50    0.12    --  -47.48 -38.00 120.00   56
 27  ω     35.00  61.00   0.50    0.12    --   47.48-125.00  60.00   52
 28  ω     17.00  42.00   0.50    0.12    --   50.00  90.00 -62.78   50
 29  ω     16.00  41.00   0.50    0.12    --   50.00  92.00-108.08   50
 30  ω     16.00  41.00   0.50    0.12    --   50.00  92.00   4.30   50
 31  ω     17.00  42.00   0.50    0.12    --   50.00  90.00  61.73   50
 32  ω     26.00  57.00   0.50    0.12    --   54.00  82.00-145.45   62
 33  ω    -74.00 -31.00   0.50    0.12    --  -58.00 -80.00  89.23   86
 34  ω     29.00  55.00   0.50    0.12    --   58.00  81.00-178.30   52
 35  ω     29.00  55.00   0.50    0.12    --   58.00  83.00  -8.88   52
 36  ω     34.00  66.00   0.50    0.12    --   62.00  81.00  23.82   64
 37  ω     33.00  59.00   0.50    0.12    --   62.00  81.00 133.38   52
 38  ω     33.00  59.00   0.50    0.12    --   62.00  81.00   6.29   52
 39  ω     36.00  68.00   0.50    0.12    --   62.00  80.00  58.31   64
 40  ω    -74.00 -41.00   0.50    0.12    --  -66.00 -71.00-112.33   66
 41  ω     37.00  63.00   0.50    0.12    --   66.00  83.00-114.56   52
 42  ω     39.00  66.00   0.50    0.12    --   66.00  77.00 121.41   54
 43  ω     43.00  84.00   0.50    0.12    --   70.00  80.00  77.78   82
 44  ω    -73.00 -47.00   0.50    0.47    --  -70.00 -71.00 -54.83   52
 45  ω     42.00  70.00   0.50    0.12    --   70.00  80.00-153.07   56
 46  ω    -69.00 -43.00   0.50    0.47    --  -70.00 -76.00-141.21   52
 47  ω     41.00  67.00   0.50    0.12    --   70.00  82.00 -71.32   52
 48  ω    -75.00 -49.00   0.50    0.47    --  -74.00 -71.00 178.55   52
 49  ω     46.00  80.00   0.50    0.12    --   74.00  79.00 -59.96   68
 50  ω   -100.00 -48.00   0.50    0.47    --  -74.00 -74.00  -1.23  104
 51  ω    -77.00 -51.00   0.50    0.47    --  -78.00 -76.00 143.51   52
 52  ω    -78.00 -52.00   0.50    0.47    --  -78.00 -75.00 156.16   52
 53  ω    -82.00 -51.00   0.50    0.47    --  -78.00 -78.00 130.04   62
 54  ω    -88.00 -54.00   0.50    0.47    --  -78.00 -69.00-148.39   68
 55  ω    -79.00 -54.00   0.50    0.47    --  -78.00 -70.00-161.69   50
 56  ω   -144.00-118.00   0.50    0.47    --  -78.00 -78.00 130.04   52
 57  ω    -88.00 -55.00   0.50    0.47    --  -82.00 -76.00  41.89   66
 58  ω    -92.00 -54.00   0.50    0.47    --  -82.00 -78.00 117.42   76
 59  ω    -87.00 -61.00   0.50    0.47    --  -82.00 -68.00 168.54   52
 60  ω    -85.00 -59.00   0.50    0.47    --  -86.00 -76.00 143.08   52
 61  ω    -87.00 -61.00   0.50    0.47    --  -86.00 -71.00 -11.81   52
 62  ω    -99.00 -63.00   0.50    0.47    --  -90.00 -76.00 -83.33   72
 63  ω    -91.00 -64.00   0.50    0.47    --  -90.25 -76.00  55.37   54
 64  ω   -107.00 -65.00   0.50    0.47    --  -90.25 -75.00 160.71   84
 65  ω   -166.00-117.00   0.50    0.47    --  -90.25 -75.00 160.71   98
 66  ω    -95.00 -67.00   0.50    0.47    --  -90.25 -79.00 118.60   56
 67  ω   -113.00 -64.00   0.50    0.47    --  -90.25 -77.00 -90.00   98
 68  ω    -86.00 -45.00   0.50    0.47    --  -90.25 111.00 -90.00   82
 69  ω   -154.00-117.00   0.50    0.47    --  -90.25 -77.00 -90.00   74
 70  ω   -166.00-113.00   0.50    0.47    --  -90.25 -79.00 118.60  106
 71  ω    -88.00 -63.00   0.50    0.47    --  -90.25 -77.00 -60.00   50
 72  ω    -88.00 -63.00   0.50    0.47    --  -90.25 -77.00 -30.00   50
 73  ω   -166.00-113.00   0.50    0.47    --  -90.25 -76.00  55.37  106
 74  ω   -150.00-103.00   0.50    0.47    --  -90.25 -77.00 -60.00   94
 75  ω    -90.00 -65.00   0.50    0.47    --  -90.25 -72.00 -43.49   50
 76  ω    -89.00 -63.00   0.50    0.47    --  -90.25 -77.00-120.00   52
 77  ω   -164.00-109.00   0.50    0.47    --  -90.25 -77.00-120.00  110
 78  ω   -161.00-116.00   0.50    0.47    --  -90.25 -72.00 -43.49   90
 79  ω   -160.00 -67.00   0.50    0.47    --  -90.25 -77.00-108.62  186
 80  ω    -93.00 -68.00   0.50    0.47    --  -90.25 -65.00-149.89   50
 81  ω    -91.00 -65.00   0.50    0.47    --  -90.25 -77.00-180.00   52
 82  ω   -162.00-137.00   0.50    0.47    --  -90.25 -77.00  38.88   50
 83  ω   -126.00 -68.00   0.50    0.47    --  -90.25 -72.00   6.90  116
 84  ω   -110.00 -63.00   0.50    0.47    --  -90.25 -77.00  38.88   94
 85  ω   -156.00 -65.00   0.50    0.47    --  -90.25 -75.00  72.78  182
 86  ω   -115.00 -63.00   0.50    0.47    --  -90.25 -77.00  30.00  104
 87  ω   -114.00 -64.00   0.50    0.47    --  -90.25 -76.00 142.57  100
 88  ω    -88.00 -63.00   0.50    0.47    --  -90.25 -77.00-150.00   50
 89  ω    -89.00 -64.00   0.50    0.47    --  -90.25 -77.00 120.00   50
 90  ω   -148.00-114.00   0.50    0.47    --  -90.25 -77.00 120.00   68
 91  ω   -164.00-104.00   0.50    0.47    --  -90.25 -77.00-150.00  120
 92  ω   -153.00-126.00   0.50    0.47    --  -90.25 -77.00  30.00   54
 93  ω   -148.00-107.00   0.50    0.47    --  -90.25 -71.00-167.94   82
 94  ω    -92.00 -61.00   0.50    0.47    --  -90.25 -81.00 -63.21   62
 95  ω   -158.00 -70.00   0.50    0.47    --  -90.25 -61.00 -41.67  176
 96  ω   -102.00 -65.00   0.50    0.47    --  -90.25 -76.00  -6.76   74
 97  ω   -165.00-115.00   0.50    0.47    --  -90.25 -76.00  -6.76  100
 98  ω   -116.00 -68.00   0.50    0.47    --  -90.25 -66.00 176.88   96
 99  ω   -144.00 -63.00   0.50    0.47    --  -90.25 -77.00  90.00  162
100  ω   -166.00-123.00   0.50    0.47    --  -90.25 -81.00 -63.21   86
101  ω   -166.00-121.00   0.50    0.47    --  -90.25 -76.00 142.57   90
102  ω     22.00 108.00   0.50    0.47    --  101.53 -94.00 150.00  172
103  ω     32.00 128.00   0.50    0.47    --  101.53 -77.00   0.00  192
104  ω     86.00 164.00   0.50    0.47    --  101.53  61.00 120.00  156
105  ω     60.00 121.00   0.50    0.47    --  101.53 -61.00-180.00  122
106  ω     73.00 107.00   0.50    0.47    --  101.53 -94.00 -90.00   68
107  ω     78.00 109.00   0.50    0.47    --  101.53  77.00 -60.00   62
108  ω     90.00 133.00   0.50    0.47    --  101.53  77.00-150.00   86
109  ω     27.00  67.00   0.50    0.47    --  101.53 -94.00 -90.00   80
110  ω     78.00 104.00   0.50    0.47    --  101.53 -94.00-120.00   52
111  ω     24.00  58.00   0.50    0.47    --  101.53 -94.00-120.00   68
112  ω     54.00 109.00   0.50    0.47    --  101.53 -94.00   0.00  110
113  ω     61.00 121.00   0.50    0.47    --  101.53 178.00 -90.00  120
114  ω     62.00 122.00   0.50    0.47    --  101.53 -61.00   0.00  120
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0808286000
_diffrn_orient_matrix_UB_12      -0.0717525000
_diffrn_orient_matrix_UB_13      -0.0356565000
_diffrn_orient_matrix_UB_21      0.1209120000
_diffrn_orient_matrix_UB_22      0.1448775000
_diffrn_orient_matrix_UB_23      0.0686982000
_diffrn_orient_matrix_UB_31      0.0180524000
_diffrn_orient_matrix_UB_32      0.0041999000
_diffrn_orient_matrix_UB_33      0.1272222000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4811
_reflns_number_total             5232
_reflns_odcompleteness_completeness 99.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.23a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.23a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.23a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.319
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         5232
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0265
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0358P)²+0.5013P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0735
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12), C20(H20), C21(H21),
 C22(H22), C24(H24), C25(H25), C26(H26)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C15(H15A,
 H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.43027(13) 0.74542(16) -0.05211(14) 0.0294(3) Uani 1 1 d . . . . .
H1A H 0.379151 0.716814 -0.006521 0.044 Uiso 1 1 calc GR . . . .
H1B H 0.439756 0.668891 -0.111545 0.044 Uiso 1 1 calc GR . . . .
H1C H 0.389643 0.772103 -0.098922 0.044 Uiso 1 1 calc GR . . . .
C2 C 0.68759(14) 0.96059(16) -0.01899(14) 0.0294(3) Uani 1 1 d . . . . .
H2A H 0.642413 0.980819 -0.069309 0.044 Uiso 1 1 calc GR . . . .
H2B H 0.704951 0.889508 -0.074920 0.044 Uiso 1 1 calc GR . . . .
H2C H 0.766271 1.044271 0.043537 0.044 Uiso 1 1 calc GR . . . .
C3 C 0.49128(14) 1.10146(17) 0.38709(16) 0.0317(3) Uani 1 1 d . . . . .
H3A H 0.441814 1.128637 0.349774 0.048 Uiso 1 1 calc GR . . . .
H3B H 0.523805 1.162621 0.479546 0.048 Uiso 1 1 calc GR . . . .
H3C H 0.438626 1.006491 0.362687 0.048 Uiso 1 1 calc GR . . . .
C4 C 0.73988(14) 1.29974(15) 0.38888(15) 0.0283(3) Uani 1 1 d . . . . .
H4A H 0.809796 1.304316 0.359035 0.042 Uiso 1 1 calc GR . . . .
H4B H 0.771111 1.353841 0.481666 0.042 Uiso 1 1 calc GR . . . .
H4C H 0.697794 1.337002 0.357579 0.042 Uiso 1 1 calc GR . . . .
C5 C 0.67466(12) 0.84988(13) 0.15790(12) 0.0189(3) Uani 1 1 d . . . . .
C6 C 0.69067(13) 0.73677(14) 0.08511(13) 0.0242(3) Uani 1 1 d . . . . .
H6 H 0.655564 0.687279 -0.004508 0.029 Uiso 1 1 calc R . . . .
C7 C 0.75778(13) 0.69345(14) 0.14087(14) 0.0272(3) Uani 1 1 d . . . . .
H7 H 0.766035 0.616381 0.088494 0.033 Uiso 1 1 calc R . . . .
C8 C 0.81080(13) 0.76469(14) 0.27201(14) 0.0243(3) Uani 1 1 d . . . . .
H8 H 0.856969 0.737250 0.308695 0.029 Uiso 1 1 calc R . . . .
C9 C 0.79620(12) 0.88052(13) 0.35321(13) 0.0192(3) Uani 1 1 d . . . . .
C10 C 0.84753(12) 0.95095(14) 0.48945(13) 0.0228(3) Uani 1 1 d . . . . .
H10 H 0.892933 0.922514 0.525628 0.027 Uiso 1 1 calc R . . . .
C11 C 0.83130(13) 1.05991(14) 0.56832(13) 0.0240(3) Uani 1 1 d . . . . .
H11 H 0.864837 1.105001 0.657621 0.029 Uiso 1 1 calc R . . . .
C12 C 0.76343(12) 1.10351(14) 0.51346(13) 0.0213(3) Uani 1 1 d . . . . .
H12 H 0.753057 1.177956 0.568199 0.026 Uiso 1 1 calc R . . . .
C13 C 0.71156(11) 1.04011(13) 0.38149(12) 0.0174(2) Uani 1 1 d . . . . .
C14 C 0.72736(11) 0.92449(12) 0.29683(12) 0.0165(2) Uani 1 1 d . . . . .
C15 C -0.05379(14) 0.27928(15) -0.02092(14) 0.0287(3) Uani 1 1 d . . . . .
H15A H -0.022517 0.215149 -0.056398 0.043 Uiso 1 1 calc GR . . . .
H15B H -0.030097 0.341784 -0.050876 0.043 Uiso 1 1 calc GR . . . .
H15C H -0.144794 0.227554 -0.048134 0.043 Uiso 1 1 calc GR . . . .
C16 C -0.04979(15) 0.50072(16) 0.22801(15) 0.0305(3) Uani 1 1 d . . . . .
H16A H -0.139941 0.445649 0.204495 0.046 Uiso 1 1 calc GR . . . .
H16B H -0.033177 0.560537 0.195130 0.046 Uiso 1 1 calc GR . . . .
H16C H -0.010295 0.557174 0.320459 0.046 Uiso 1 1 calc GR . . . .
C17 C 0.02635(14) 0.05585(14) 0.19178(14) 0.0263(3) Uani 1 1 d . . . . .
H17A H -0.058928 0.003580 0.185994 0.039 Uiso 1 1 calc GR . . . .
H17B H 0.082311 0.039981 0.236253 0.039 Uiso 1 1 calc GR . . . .
H17C H 0.029024 0.025738 0.106393 0.039 Uiso 1 1 calc GR . . . .
C18 C 0.07493(14) 0.30504(14) 0.44773(13) 0.0256(3) Uani 1 1 d . . . . .
H18A H 0.084436 0.397177 0.488036 0.038 Uiso 1 1 calc GR . . . .
H18B H 0.143475 0.307696 0.497458 0.038 Uiso 1 1 calc GR . . . .
H18C H -0.004630 0.241010 0.443531 0.038 Uiso 1 1 calc GR . . . .
C19 C 0.24238(12) 0.34837(13) 0.28938(12) 0.0200(3) Uani 1 1 d . . . . .
C20 C 0.33322(14) 0.32274(15) 0.33284(15) 0.0287(3) Uani 1 1 d . . . . .
H20 H 0.308565 0.254127 0.352383 0.034 Uiso 1 1 calc R . . . .
C21 C 0.46169(14) 0.39642(17) 0.34871(16) 0.0357(4) Uani 1 1 d . . . . .
H21 H 0.520039 0.375140 0.376648 0.043 Uiso 1 1 calc R . . . .
C22 C 0.49994(14) 0.49867(16) 0.32303(15) 0.0331(3) Uani 1 1 d . . . . .
H22 H 0.585100 0.548088 0.334634 0.040 Uiso 1 1 calc R . . . .
C23 C 0.41237(13) 0.53125(14) 0.27893(13) 0.0256(3) Uani 1 1 d . . . . .
C24 C 0.45401(14) 0.63990(15) 0.25469(14) 0.0319(3) Uani 1 1 d . . . . .
H24 H 0.539449 0.689300 0.267162 0.038 Uiso 1 1 calc R . . . .
C25 C 0.37109(15) 0.67292(15) 0.21358(15) 0.0339(4) Uani 1 1 d . . . . .
H25 H 0.400122 0.746695 0.200915 0.041 Uiso 1 1 calc R . . . .
C26 C 0.24071(14) 0.59522(15) 0.19005(14) 0.0278(3) Uani 1 1 d . . . . .
H26 H 0.184680 0.617896 0.160180 0.033 Uiso 1 1 calc R . . . .
C27 C 0.19320(12) 0.48625(13) 0.20989(12) 0.0204(3) Uani 1 1 d . . . . .
C28 C 0.28089(12) 0.45439(13) 0.25898(12) 0.0197(3) Uani 1 1 d . . . . .
O1 O 0.56948(10) 1.02279(11) 0.16980(9) 0.0286(2) Uani 1 1 d . . . . .
O2 O -0.01726(8) 0.27561(10) 0.20910(10) 0.0253(2) Uani 1 1 d . . . . .
Si1 Si 0.58951(3) 0.89729(4) 0.06532(3) 0.02058(9) Uani 1 1 d . . . . .
Si2 Si 0.62574(3) 1.11425(4) 0.32768(3) 0.01875(9) Uani 1 1 d . . . . .
Si3 Si 0.01595(3) 0.38250(4) 0.15833(3) 0.01882(9) Uani 1 1 d . . . . .
Si4 Si 0.07782(3) 0.24564(3) 0.28197(3) 0.01764(9) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 Si1 1.8584(14) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C2 Si1 1.8509(14) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C3 Si2 1.8547(14) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C4 Si2 1.8559(14) . ?
C5 C6 1.3816(18) . ?
C5 C14 1.4421(18) . ?
C5 Si1 1.8800(14) . ?
C6 H6 0.9300 . ?
C6 C7 1.404(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.363(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.4217(19) . ?
C9 C10 1.4169(19) . ?
C9 C14 1.4298(18) . ?
C10 H10 0.9300 . ?
C10 C11 1.364(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.4069(19) . ?
C12 H12 0.9300 . ?
C12 C13 1.3819(18) . ?
C13 C14 1.4407(17) . ?
C13 Si2 1.8716(13) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C15 Si3 1.8572(15) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 Si3 1.8547(14) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17 Si4 1.8546(14) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C18 Si4 1.8539(14) . ?
C19 C20 1.3802(19) . ?
C19 C28 1.4390(18) . ?
C19 Si4 1.8747(13) . ?
C20 H20 0.9300 . ?
C20 C21 1.407(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.356(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.413(2) . ?
C23 C24 1.415(2) . ?
C23 C28 1.4302(18) . ?
C24 H24 0.9300 . ?
C24 C25 1.355(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.410(2) . ?
C26 H26 0.9300 . ?
C26 C27 1.3853(19) . ?
C27 C28 1.4348(19) . ?
C27 Si3 1.8738(13) . ?
O1 Si1 1.6384(10) . ?
O1 Si2 1.6336(10) . ?
O2 Si3 1.6367(9) . ?
O2 Si4 1.6394(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
C6 C5 C14 118.31(12) . . ?
C6 C5 Si1 116.31(10) . . ?
C14 C5 Si1 125.34(9) . . ?
C5 C6 H6 118.6 . . ?
C5 C6 C7 122.71(13) . . ?
C7 C6 H6 118.6 . . ?
C6 C7 H7 120.1 . . ?
C8 C7 C6 119.81(12) . . ?
C8 C7 H7 120.1 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.64(12) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 C14 119.71(12) . . ?
C10 C9 C8 120.40(12) . . ?
C10 C9 C14 119.89(12) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 120.93(12) . . ?
C11 C10 H10 119.5 . . ?
C10 C11 H11 120.3 . . ?
C10 C11 C12 119.47(12) . . ?
C12 C11 H11 120.3 . . ?
C11 C12 H12 118.7 . . ?
C13 C12 C11 122.62(12) . . ?
C13 C12 H12 118.7 . . ?
C12 C13 C14 118.62(12) . . ?
C12 C13 Si2 116.14(9) . . ?
C14 C13 Si2 125.24(9) . . ?
C9 C14 C5 118.79(11) . . ?
C9 C14 C13 118.48(11) . . ?
C13 C14 C5 122.72(11) . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C17 H17A 109.5 . . ?
Si4 C17 H17B 109.5 . . ?
Si4 C17 H17C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
Si4 C18 H18C 109.5 . . ?
C20 C19 C28 118.56(12) . . ?
C20 C19 Si4 116.31(10) . . ?
C28 C19 Si4 125.07(10) . . ?
C19 C20 H20 118.7 . . ?
C19 C20 C21 122.52(14) . . ?
C21 C20 H20 118.7 . . ?
C20 C21 H21 120.2 . . ?
C22 C21 C20 119.61(14) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 119.5 . . ?
C21 C22 C23 121.01(13) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 C24 120.40(13) . . ?
C22 C23 C28 119.89(13) . . ?
C24 C23 C28 119.71(14) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 C23 120.89(13) . . ?
C25 C24 H24 119.6 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.87(13) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 118.9 . . ?
C27 C26 C25 122.23(14) . . ?
C27 C26 H26 118.9 . . ?
C26 C27 C28 118.41(12) . . ?
C26 C27 Si3 116.68(11) . . ?
C28 C27 Si3 124.75(9) . . ?
C23 C28 C19 118.38(12) . . ?
C23 C28 C27 118.79(12) . . ?
C27 C28 C19 122.83(11) . . ?
Si2 O1 Si1 130.31(6) . . ?
Si3 O2 Si4 129.75(6) . . ?
C1 Si1 C5 111.27(6) . . ?
C2 Si1 C1 110.48(7) . . ?
C2 Si1 C5 109.53(6) . . ?
O1 Si1 C1 108.21(6) . . ?
O1 Si1 C2 109.72(6) . . ?
O1 Si1 C5 107.57(5) . . ?
C3 Si2 C4 110.79(7) . . ?
C3 Si2 C13 110.47(6) . . ?
C4 Si2 C13 108.91(6) . . ?
O1 Si2 C3 108.77(7) . . ?
O1 Si2 C4 109.58(6) . . ?
O1 Si2 C13 108.27(5) . . ?
C15 Si3 C27 108.90(6) . . ?
C16 Si3 C15 109.82(7) . . ?
C16 Si3 C27 110.62(6) . . ?
O2 Si3 C15 109.53(6) . . ?
O2 Si3 C16 109.78(6) . . ?
O2 Si3 C27 108.15(5) . . ?
C17 Si4 C19 109.88(6) . . ?
C18 Si4 C17 109.70(6) . . ?
C18 Si4 C19 109.99(6) . . ?
O2 Si4 C17 110.54(6) . . ?
O2 Si4 C18 108.84(6) . . ?
O2 Si4 C19 107.86(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C6 C7 C8 -0.4(2) . . . . ?
C6 C5 C14 C9 1.41(17) . . . . ?
C6 C5 C14 C13 -177.40(11) . . . . ?
C6 C5 Si1 C1 56.18(12) . . . . ?
C6 C5 Si1 C2 -66.26(11) . . . . ?
C6 C5 Si1 O1 174.54(10) . . . . ?
C6 C7 C8 C9 1.6(2) . . . . ?
C7 C8 C9 C10 177.69(12) . . . . ?
C7 C8 C9 C14 -1.23(19) . . . . ?
C8 C9 C10 C11 -178.29(12) . . . . ?
C8 C9 C14 C5 -0.28(17) . . . . ?
C8 C9 C14 C13 178.58(11) . . . . ?
C9 C10 C11 C12 -0.5(2) . . . . ?
C10 C9 C14 C5 -179.20(11) . . . . ?
C10 C9 C14 C13 -0.34(17) . . . . ?
C10 C11 C12 C13 0.1(2) . . . . ?
C11 C12 C13 C14 0.20(19) . . . . ?
C11 C12 C13 Si2 -179.58(10) . . . . ?
C12 C13 C14 C5 178.76(11) . . . . ?
C12 C13 C14 C9 -0.05(17) . . . . ?
C12 C13 Si2 C3 -59.70(12) . . . . ?
C12 C13 Si2 C4 62.20(11) . . . . ?
C12 C13 Si2 O1 -178.71(9) . . . . ?
C14 C5 C6 C7 -1.13(19) . . . . ?
C14 C5 Si1 C1 -126.05(11) . . . . ?
C14 C5 Si1 C2 111.51(11) . . . . ?
C14 C5 Si1 O1 -7.69(12) . . . . ?
C14 C9 C10 C11 0.62(19) . . . . ?
C14 C13 Si2 C3 120.54(11) . . . . ?
C14 C13 Si2 C4 -117.56(11) . . . . ?
C14 C13 Si2 O1 1.53(12) . . . . ?
C19 C20 C21 C22 1.2(2) . . . . ?
C20 C19 C28 C23 -1.84(18) . . . . ?
C20 C19 C28 C27 178.28(12) . . . . ?
C20 C19 Si4 C17 -51.47(12) . . . . ?
C20 C19 Si4 C18 69.40(12) . . . . ?
C20 C19 Si4 O2 -172.03(10) . . . . ?
C20 C21 C22 C23 -0.8(2) . . . . ?
C21 C22 C23 C24 178.87(15) . . . . ?
C21 C22 C23 C28 -0.9(2) . . . . ?
C22 C23 C24 C25 -179.36(14) . . . . ?
C22 C23 C28 C19 2.24(19) . . . . ?
C22 C23 C28 C27 -177.87(12) . . . . ?
C23 C24 C25 C26 -2.3(2) . . . . ?
C24 C23 C28 C19 -177.56(12) . . . . ?
C24 C23 C28 C27 2.33(19) . . . . ?
C24 C25 C26 C27 1.3(2) . . . . ?
C25 C26 C27 C28 1.5(2) . . . . ?
C25 C26 C27 Si3 -174.10(11) . . . . ?
C26 C27 C28 C19 176.65(12) . . . . ?
C26 C27 C28 C23 -3.23(18) . . . . ?
C26 C27 Si3 C15 68.96(12) . . . . ?
C26 C27 Si3 C16 -51.82(12) . . . . ?
C26 C27 Si3 O2 -172.08(10) . . . . ?
C28 C19 C20 C21 0.1(2) . . . . ?
C28 C19 Si4 C17 131.41(11) . . . . ?
C28 C19 Si4 C18 -107.73(11) . . . . ?
C28 C19 Si4 O2 10.84(12) . . . . ?
C28 C23 C24 C25 0.4(2) . . . . ?
C28 C27 Si3 C15 -106.32(11) . . . . ?
C28 C27 Si3 C16 132.90(11) . . . . ?
C28 C27 Si3 O2 12.64(12) . . . . ?
Si1 C5 C6 C7 176.81(11) . . . . ?
Si1 C5 C14 C9 -176.32(9) . . . . ?
Si1 C5 C14 C13 4.87(17) . . . . ?
Si1 O1 Si2 C3 -126.16(9) . . . . ?
Si1 O1 Si2 C4 112.59(9) . . . . ?
Si1 O1 Si2 C13 -6.07(11) . . . . ?
Si2 C13 C14 C5 -1.49(17) . . . . ?
Si2 C13 C14 C9 179.70(9) . . . . ?
Si2 O1 Si1 C1 128.83(9) . . . . ?
Si2 O1 Si1 C2 -110.56(9) . . . . ?
Si2 O1 Si1 C5 8.51(11) . . . . ?
Si3 C27 C28 C19 -8.14(18) . . . . ?
Si3 C27 C28 C23 171.98(9) . . . . ?
Si3 O2 Si4 C17 -124.70(9) . . . . ?
Si3 O2 Si4 C18 114.75(9) . . . . ?
Si3 O2 Si4 C19 -4.55(10) . . . . ?
Si4 C19 C20 C21 -177.18(12) . . . . ?
Si4 C19 C28 C23 175.23(9) . . . . ?
Si4 C19 C28 C27 -4.65(18) . . . . ?
Si4 O2 Si3 C15 113.73(9) . . . . ?
Si4 O2 Si3 C16 -125.61(9) . . . . ?
Si4 O2 Si3 C27 -4.83(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.179
_oxdiff_exptl_absorpt_empirical_full_min 0.902
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1886596'
loop_
_audit_author_name
_audit_author_address
'Tilo Soehnel'
;The University of Auckland
New Zealand
;
_audit_update_record             
;
2018-12-20 deposited with the CCDC.	2019-08-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H24 Si2'
_chemical_formula_weight         464.69

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.90220(10)
_cell_length_b                   9.38000(10)
_cell_length_c                   16.74810(10)
_cell_angle_alpha                105.2750(10)
_cell_angle_beta                 90.6210(10)
_cell_angle_gamma                96.1440(10)
_cell_volume                     1189.69(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    373(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_F_000             488
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.485
_shelx_estimated_absorpt_T_min   0.819
_shelx_estimated_absorpt_T_max   0.866
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      373(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32410
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         5.636
_diffrn_reflns_theta_max         68.245
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4358
_reflns_number_gt                4018
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0384P)²+0.5441P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4358
_refine_ls_number_parameters     315
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0299
_refine_ls_wR_factor_ref         0.0807
_refine_ls_wR_factor_gt          0.0791
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.21942(17) 0.51165(15) 0.67076(8) 0.0191(3) Uani 1 1 d . . . . .
C2 C 0.20030(18) 0.66222(15) 0.70326(8) 0.0218(3) Uani 1 1 d . . . . .
H2 H 0.288524 0.725335 0.735636 0.026 Uiso 1 1 calc R U . . .
C3 C 0.05153(19) 0.71897(16) 0.68792(9) 0.0256(3) Uani 1 1 d . . . . .
H3 H 0.039972 0.819011 0.710700 0.031 Uiso 1 1 calc R U . . .
C4 C -0.07934(18) 0.62653(17) 0.63875(10) 0.0269(3) Uani 1 1 d . . . . .
H4 H -0.178976 0.664445 0.628514 0.032 Uiso 1 1 calc R U . . .
C5 C -0.06215(19) 0.47724(17) 0.60465(10) 0.0272(3) Uani 1 1 d . . . . .
H5 H -0.149279 0.415452 0.570763 0.033 Uiso 1 1 calc R U . . .
C6 C 0.08532(18) 0.42052(16) 0.62127(9) 0.0237(3) Uani 1 1 d . . . . .
H6 H 0.095209 0.320006 0.599095 0.028 Uiso 1 1 calc R U . . .
C7 C 0.49448(16) 0.30335(14) 0.60702(8) 0.0183(3) Uani 1 1 d . . . . .
C8 C 0.46084(17) 0.33823(15) 0.53343(9) 0.0214(3) Uani 1 1 d . . . . .
H8 H 0.389978 0.411551 0.534144 0.026 Uiso 1 1 calc R U . . .
C9 C 0.52873(18) 0.26806(16) 0.45765(9) 0.0222(3) Uani 1 1 d . . . . .
H9 H 0.500787 0.293023 0.409357 0.027 Uiso 1 1 calc R U . . .
C10 C 0.63573(17) 0.16325(15) 0.45616(8) 0.0204(3) Uani 1 1 d . . . . .
H10 H 0.684202 0.118671 0.406763 0.025 Uiso 1 1 calc R U . . .
C11 C 0.67428(16) 0.12114(14) 0.52889(8) 0.0181(3) Uani 1 1 d . . . . .
C12 C 0.78910(17) 0.01378(15) 0.52437(9) 0.0208(3) Uani 1 1 d . . . . .
H12 H 0.836537 -0.027268 0.474086 0.025 Uiso 1 1 calc R U . . .
C13 C 0.83121(18) -0.03033(16) 0.59225(9) 0.0233(3) Uani 1 1 d . . . . .
H13 H 0.911427 -0.096998 0.589390 0.028 Uiso 1 1 calc R U . . .
C14 C 0.75189(17) 0.02617(15) 0.66694(9) 0.0211(3) Uani 1 1 d . . . . .
H14 H 0.777346 -0.008270 0.712407 0.025 Uiso 1 1 calc R U . . .
C15 C 0.63734(16) 0.13100(14) 0.67582(8) 0.0181(3) Uani 1 1 d . . . . .
C16 C 0.60010(16) 0.18676(14) 0.60596(8) 0.0165(3) Uani 1 1 d . . . . .
C17 C 0.68581(16) 0.34503(15) 0.84931(8) 0.0177(3) Uani 1 1 d . . . . .
C18 C 0.65703(17) 0.39549(16) 0.93401(8) 0.0208(3) Uani 1 1 d . . . . .
H18 H 0.573159 0.343662 0.957335 0.025 Uiso 1 1 calc R U . . .
C19 C 0.75141(18) 0.52128(16) 0.98357(9) 0.0248(3) Uani 1 1 d . . . . .
H19 H 0.730914 0.553092 1.039697 0.030 Uiso 1 1 calc R U . . .
C20 C 0.87652(18) 0.59976(16) 0.94942(9) 0.0254(3) Uani 1 1 d . . . . .
H20 H 0.939895 0.684239 0.982628 0.030 Uiso 1 1 calc R U . . .
C21 C 0.90694(19) 0.55224(16) 0.86591(9) 0.0253(3) Uani 1 1 d . . . . .
H21 H 0.990476 0.604988 0.842917 0.030 Uiso 1 1 calc R U . . .
C22 C 0.81269(17) 0.42576(15) 0.81644(9) 0.0214(3) Uani 1 1 d . . . . .
H22 H 0.834439 0.394247 0.760438 0.026 Uiso 1 1 calc R U . . .
C23 C 0.32889(17) 0.14317(14) 0.81253(8) 0.0186(3) Uani 1 1 d . . . . .
C24 C 0.16330(17) 0.17738(15) 0.81966(9) 0.0211(3) Uani 1 1 d . . . . .
H24 H 0.127384 0.250756 0.797568 0.025 Uiso 1 1 calc R U . . .
C25 C 0.04903(17) 0.09743(16) 0.86170(9) 0.0223(3) Uani 1 1 d . . . . .
H25 H -0.062773 0.120080 0.866500 0.027 Uiso 1 1 calc R U . . .
C26 C 0.09585(18) -0.01212(16) 0.89573(9) 0.0223(3) Uani 1 1 d . . . . .
H26 H 0.016168 -0.060846 0.922814 0.027 Uiso 1 1 calc R U . . .
C27 C 0.26491(17) -0.05094(15) 0.88967(8) 0.0200(3) Uani 1 1 d . . . . .
C28 C 0.33816(18) -0.16111(16) 0.91785(9) 0.0236(3) Uani 1 1 d . . . . .
H28 H 0.273393 -0.217586 0.947016 0.028 Uiso 1 1 calc R U . . .
C29 C 0.50512(18) -0.18492(16) 0.90219(9) 0.0242(3) Uani 1 1 d . . . . .
H29 H 0.549552 -0.259253 0.920421 0.029 Uiso 1 1 calc R U . . .
C30 C 0.61267(17) -0.10080(15) 0.85935(9) 0.0217(3) Uani 1 1 d . . . . .
H30 H 0.724733 -0.120160 0.849817 0.026 Uiso 1 1 calc R U . . .
C31 C 0.54820(17) 0.00946(15) 0.83231(8) 0.0185(3) Uani 1 1 d . . . . .
C32 C 0.37429(17) 0.02974(14) 0.84735(8) 0.0182(3) Uani 1 1 d . . . . .
Si1 Si 0.42004(5) 0.44277(4) 0.69854(2) 0.01856(10) Uani 1 1 d . . . . .
Si2 Si 0.55885(4) 0.17333(4) 0.78417(2) 0.01652(10) Uani 1 1 d . . . . .
H1 H 0.543(2) 0.5634(18) 0.7224(10) 0.023(4) Uiso 1 1 d . . . . .
H H 0.393(2) 0.3900(19) 0.7668(10) 0.028(4) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.398(2) . ?
C1 C2 1.3987(19) . ?
C1 Si1 1.8732(14) . ?
C2 C3 1.390(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.383(2) . ?
C3 H3 0.9300 . ?
C4 C5 1.388(2) . ?
C4 H4 0.9300 . ?
C5 C6 1.386(2) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.386(2) . ?
C7 C16 1.4417(18) . ?
C7 Si1 1.8798(14) . ?
C8 C9 1.408(2) . ?
C8 H8 0.9300 . ?
C9 C10 1.359(2) . ?
C9 H9 0.9300 . ?
C10 C11 1.416(2) . ?
C10 H10 0.9300 . ?
C11 C12 1.4142(19) . ?
C11 C16 1.4365(18) . ?
C12 C13 1.358(2) . ?
C12 H12 0.9300 . ?
C13 C14 1.406(2) . ?
C13 H13 0.9300 . ?
C14 C15 1.3873(19) . ?
C14 H14 0.9300 . ?
C15 C16 1.4412(19) . ?
C15 Si2 1.8796(14) . ?
C17 C22 1.3968(19) . ?
C17 C18 1.4014(19) . ?
C17 Si2 1.8695(14) . ?
C18 C19 1.386(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.387(2) . ?
C19 H19 0.9300 . ?
C20 C21 1.384(2) . ?
C20 H20 0.9300 . ?
C21 C22 1.389(2) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.3794(19) . ?
C23 C32 1.4160(19) . ?
C23 Si2 1.8940(14) . ?
C24 C25 1.421(2) . ?
C24 H24 0.9300 . ?
C25 C26 1.379(2) . ?
C25 H25 0.9300 . ?
C26 C27 1.420(2) . ?
C26 H26 0.9300 . ?
C27 C32 1.4064(19) . ?
C27 C28 1.416(2) . ?
C28 C29 1.378(2) . ?
C28 H28 0.9300 . ?
C29 C30 1.424(2) . ?
C29 H29 0.9300 . ?
C30 C31 1.374(2) . ?
C30 H30 0.9300 . ?
C31 C32 1.4235(18) . ?
C31 Si2 1.9096(14) . ?
C32 Si2 2.3291(14) . ?
Si1 H1 1.379(16) . ?
Si1 H 1.370(17) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 117.94(13) . . ?
C6 C1 Si1 123.84(10) . . ?
C2 C1 Si1 118.20(11) . . ?
C3 C2 C1 121.03(14) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C4 C3 C2 119.93(14) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.08(14) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 119.79(14) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C1 121.21(13) . . ?
C5 C6 H6 119.4 . . ?
C1 C6 H6 119.4 . . ?
C8 C7 C16 118.74(12) . . ?
C8 C7 Si1 111.57(10) . . ?
C16 C7 Si1 128.86(10) . . ?
C7 C8 C9 123.18(13) . . ?
C7 C8 H8 118.4 . . ?
C9 C8 H8 118.4 . . ?
C10 C9 C8 118.98(13) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C9 C10 C11 120.79(12) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C12 C11 C10 118.55(12) . . ?
C12 C11 C16 120.49(12) . . ?
C10 C11 C16 120.96(12) . . ?
C13 C12 C11 121.07(13) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C12 C13 C14 119.10(13) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 . . ?
C15 C14 C13 122.93(13) . . ?
C15 C14 H14 118.5 . . ?
C13 C14 H14 118.5 . . ?
C14 C15 C16 118.69(12) . . ?
C14 C15 Si2 109.23(10) . . ?
C16 C15 Si2 132.08(10) . . ?
C11 C16 C7 117.17(12) . . ?
C11 C16 C15 117.47(12) . . ?
C7 C16 C15 125.35(12) . . ?
C22 C17 C18 117.84(12) . . ?
C22 C17 Si2 121.92(10) . . ?
C18 C17 Si2 120.24(10) . . ?
C19 C18 C17 121.11(13) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C18 C19 C20 119.97(13) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C21 C20 C19 119.95(13) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 119.98(13) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C17 121.16(13) . . ?
C21 C22 H22 119.4 . . ?
C17 C22 H22 119.4 . . ?
C24 C23 C32 117.79(13) . . ?
C24 C23 Si2 153.82(11) . . ?
C32 C23 Si2 88.21(9) . . ?
C23 C24 C25 118.19(13) . . ?
C23 C24 H24 120.9 . . ?
C25 C24 H24 120.9 . . ?
C26 C25 C24 123.22(13) . . ?
C26 C25 H25 118.4 . . ?
C24 C25 H25 118.4 . . ?
C25 C26 C27 120.41(13) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C32 C27 C28 115.42(12) . . ?
C32 C27 C26 114.88(13) . . ?
C28 C27 C26 129.68(13) . . ?
C29 C28 C27 120.20(13) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C30 122.94(13) . . ?
C28 C29 H29 118.5 . . ?
C30 C29 H29 118.5 . . ?
C31 C30 C29 118.94(13) . . ?
C31 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C30 C31 C32 117.19(12) . . ?
C30 C31 Si2 155.36(11) . . ?
C32 C31 Si2 87.38(9) . . ?
C27 C32 C23 125.51(12) . . ?
C27 C32 C31 125.28(13) . . ?
C23 C32 C31 109.21(12) . . ?
C27 C32 Si2 176.84(10) . . ?
C23 C32 Si2 54.37(7) . . ?
C31 C32 Si2 54.99(7) . . ?
C1 Si1 C7 110.79(6) . . ?
C1 Si1 H1 107.7(7) . . ?
C7 Si1 H1 109.1(7) . . ?
C1 Si1 H 108.7(7) . . ?
C7 Si1 H 113.9(7) . . ?
H1 Si1 H 106.3(10) . . ?
C17 Si2 C15 109.36(6) . . ?
C17 Si2 C23 115.44(6) . . ?
C15 Si2 C23 125.35(6) . . ?
C17 Si2 C31 113.24(6) . . ?
C15 Si2 C31 114.07(6) . . ?
C23 Si2 C31 74.97(6) . . ?
C17 Si2 C32 119.41(5) . . ?
C15 Si2 C32 130.30(5) . . ?
C23 Si2 C32 37.42(5) . . ?
C31 Si2 C32 37.63(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 1.0(2) . . . . ?
Si1 C1 C2 C3 -177.22(11) . . . . ?
C1 C2 C3 C4 -1.0(2) . . . . ?
C2 C3 C4 C5 -0.1(2) . . . . ?
C3 C4 C5 C6 1.2(2) . . . . ?
C4 C5 C6 C1 -1.2(2) . . . . ?
C2 C1 C6 C5 0.1(2) . . . . ?
Si1 C1 C6 C5 178.23(11) . . . . ?
C16 C7 C8 C9 -1.8(2) . . . . ?
Si1 C7 C8 C9 168.67(11) . . . . ?
C7 C8 C9 C10 -1.6(2) . . . . ?
C8 C9 C10 C11 2.1(2) . . . . ?
C9 C10 C11 C12 -178.72(13) . . . . ?
C9 C10 C11 C16 0.7(2) . . . . ?
C10 C11 C12 C13 179.73(13) . . . . ?
C16 C11 C12 C13 0.3(2) . . . . ?
C11 C12 C13 C14 3.4(2) . . . . ?
C12 C13 C14 C15 -3.1(2) . . . . ?
C13 C14 C15 C16 -1.2(2) . . . . ?
C13 C14 C15 Si2 178.99(11) . . . . ?
C12 C11 C16 C7 175.42(12) . . . . ?
C10 C11 C16 C7 -3.94(18) . . . . ?
C12 C11 C16 C15 -4.50(18) . . . . ?
C10 C11 C16 C15 176.13(12) . . . . ?
C8 C7 C16 C11 4.43(18) . . . . ?
Si1 C7 C16 C11 -164.19(10) . . . . ?
C8 C7 C16 C15 -175.66(12) . . . . ?
Si1 C7 C16 C15 15.7(2) . . . . ?
C14 C15 C16 C11 4.83(18) . . . . ?
Si2 C15 C16 C11 -175.40(10) . . . . ?
C14 C15 C16 C7 -175.09(12) . . . . ?
Si2 C15 C16 C7 4.7(2) . . . . ?
C22 C17 C18 C19 -0.1(2) . . . . ?
Si2 C17 C18 C19 179.08(10) . . . . ?
C17 C18 C19 C20 0.2(2) . . . . ?
C18 C19 C20 C21 0.0(2) . . . . ?
C19 C20 C21 C22 -0.2(2) . . . . ?
C20 C21 C22 C17 0.4(2) . . . . ?
C18 C17 C22 C21 -0.2(2) . . . . ?
Si2 C17 C22 C21 -179.35(11) . . . . ?
C32 C23 C24 C25 0.28(19) . . . . ?
Si2 C23 C24 C25 -172.38(18) . . . . ?
C23 C24 C25 C26 0.1(2) . . . . ?
C24 C25 C26 C27 -0.2(2) . . . . ?
C25 C26 C27 C32 -0.08(19) . . . . ?
C25 C26 C27 C28 -178.18(14) . . . . ?
C32 C27 C28 C29 -0.9(2) . . . . ?
C26 C27 C28 C29 177.15(14) . . . . ?
C27 C28 C29 C30 1.2(2) . . . . ?
C28 C29 C30 C31 0.1(2) . . . . ?
C29 C30 C31 C32 -1.60(19) . . . . ?
C29 C30 C31 Si2 173.82(19) . . . . ?
C28 C27 C32 C23 178.92(12) . . . . ?
C26 C27 C32 C23 0.54(19) . . . . ?
C28 C27 C32 C31 -0.6(2) . . . . ?
C26 C27 C32 C31 -179.03(12) . . . . ?
C24 C23 C32 C27 -0.6(2) . . . . ?
Si2 C23 C32 C27 176.12(12) . . . . ?
C24 C23 C32 C31 178.98(12) . . . . ?
Si2 C23 C32 C31 -4.26(11) . . . . ?
C24 C23 C32 Si2 -176.76(14) . . . . ?
C30 C31 C32 C27 1.9(2) . . . . ?
Si2 C31 C32 C27 -176.15(12) . . . . ?
C30 C31 C32 C23 -177.68(12) . . . . ?
Si2 C31 C32 C23 4.23(10) . . . . ?
C30 C31 C32 Si2 178.09(14) . . . . ?
C6 C1 Si1 C7 40.72(13) . . . . ?
C2 C1 Si1 C7 -141.17(10) . . . . ?
C8 C7 Si1 C1 35.11(12) . . . . ?
C16 C7 Si1 C1 -155.61(11) . . . . ?
C22 C17 Si2 C15 2.30(13) . . . . ?
C18 C17 Si2 C15 -176.80(10) . . . . ?
C22 C17 Si2 C23 -145.50(11) . . . . ?
C18 C17 Si2 C23 35.40(13) . . . . ?
C22 C17 Si2 C31 130.72(11) . . . . ?
C18 C17 Si2 C31 -48.38(12) . . . . ?
C22 C17 Si2 C32 172.36(10) . . . . ?
C18 C17 Si2 C32 -6.74(13) . . . . ?
C14 C15 Si2 C17 96.67(10) . . . . ?
C16 C15 Si2 C17 -83.12(13) . . . . ?
C14 C15 Si2 C23 -119.49(10) . . . . ?
C16 C15 Si2 C23 60.72(15) . . . . ?
C14 C15 Si2 C31 -31.29(11) . . . . ?
C16 C15 Si2 C31 148.92(12) . . . . ?
C14 C15 Si2 C32 -71.96(12) . . . . ?
C16 C15 Si2 C32 108.25(13) . . . . ?
C24 C23 Si2 C17 67.7(2) . . . . ?
C32 C23 Si2 C17 -105.85(9) . . . . ?
C24 C23 Si2 C15 -74.3(3) . . . . ?
C32 C23 Si2 C15 112.21(9) . . . . ?
C24 C23 Si2 C31 176.6(2) . . . . ?
C32 C23 Si2 C31 3.10(8) . . . . ?
C24 C23 Si2 C32 173.5(3) . . . . ?

_refine_diff_density_max         0.297
_refine_diff_density_min         -0.309
_refine_diff_density_rms         0.042

