# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_191119_s2_ytz
_audit_block_doi                 10.5517/ccdc.csd.cc24s1pp
_database_code_depnum_ccdc_archive 'CCDC 1989322'
loop_
_audit_author_name
_audit_author_address
'Tianzi Yu'
;sichuan university
China
;
_audit_update_record             
;
2020-03-10 deposited with the CCDC.	2020-06-18 downloaded from the CCDC.
;
_audit_creation_date             2019-11-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C41 H56 O4 Si'
_chemical_formula_sum            'C41 H56 O4 Si'
_chemical_formula_weight         640.94
_chemical_absolute_configuration unk
_chemical_melting_point          ?
_chemical_oxdiff_formula         c12h12n2o2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   11.4985(3)
_cell_length_b                   13.7129(5)
_cell_length_c                   24.4365(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3853.1(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3200
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.7860
_cell_measurement_theta_min      3.4580
_shelx_estimated_absorpt_T_max   0.976
_shelx_estimated_absorpt_T_min   0.966
_exptl_absorpt_coefficient_mu    0.098
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.99626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.105
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_unetI/netI     0.0641
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            11916
_diffrn_reflns_point_group_measured_fraction_full 0.916
_diffrn_reflns_point_group_measured_fraction_max 0.908
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.971
_diffrn_ambient_temperature      293.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0874
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -62.00  -36.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.8106 -178.0000 -180.0000 26

#__ type_ start__ end____ width___ exp.time_
  2 omega  -26.00    5.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.8106  -19.0000  120.0000 31

#__ type_ start__ end____ width___ exp.time_
  3 omega   -2.00   86.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       16.9981   38.0000  120.0000 88
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0138518000
_diffrn_orient_matrix_UB_12      -0.0203881000
_diffrn_orient_matrix_UB_13      0.0258727000
_diffrn_orient_matrix_UB_21      -0.0214147000
_diffrn_orient_matrix_UB_22      0.0458600000
_diffrn_orient_matrix_UB_23      0.0088485000
_diffrn_orient_matrix_UB_31      -0.0561771000
_diffrn_orient_matrix_UB_32      -0.0124622000
_diffrn_orient_matrix_UB_33      -0.0097477000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.630
_reflns_Friedel_fraction_full    0.812
_reflns_Friedel_fraction_max     0.795
_reflns_number_gt                4828
_reflns_number_total             7151
_reflns_odcompleteness_completeness 99.66
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.168
_refine_diff_density_min         -0.200
_refine_diff_density_rms         0.031
_refine_ls_abs_structure_details 
;
 Flack x determined using 1394 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.13(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         7151
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0839
_refine_ls_R_factor_gt           0.0484
_refine_ls_restrained_S_all      0.961
_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)+(0.0410P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0855
_refine_ls_wR_factor_ref         0.0967
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C2(H2A), C3(H3), C5(H5), C15(H15), C16(H16)
2.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C18(H18A,H18B)
2.c Aromatic/amide H refined with riding coordinates:
 C10(H10), C17(H17), C31(H31), C32(H32), C33(H33), C34(H34), C35(H35),
 C37(H37), C38(H38), C39(H39), C40(H40), C41(H41)
2.d X=CH2 refined with riding coordinates:
 C8(H8A,H8B)
2.e Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,
 H28B,H28C), C29(H29A,H29B,H29C)
2.f Idealised tetrahedral OH refined as rotating group:
 O2(H2)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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 0.54607(8) 0.64699(6) 0.33339(3) 0.0455(2) Uani 1 1 d . . . . .
O1 O 0.57938(18) 0.59649(15) 0.39191(8) 0.0497(6) Uani 1 1 d . . . . .
O2 O 0.58725(16) 0.33053(15) 0.49965(8) 0.0427(5) Uani 1 1 d . . . . .
H2 H 0.6094 0.3113 0.5297 0.064 Uiso 1 1 calc GR . . . .
O3 O 0.54842(17) 0.22844(16) 0.59862(8) 0.0512(6) Uani 1 1 d . . . . .
O4 O 0.41195(19) 0.25219(19) 0.66429(8) 0.0621(7) Uani 1 1 d . . . . .
C1 C 0.5068(3) 0.5412(2) 0.42807(11) 0.0418(8) Uani 1 1 d . . . . .
H1 H 0.4302 0.5723 0.4298 0.050 Uiso 1 1 calc R . . . .
C2 C 0.5604(3) 0.5425(2) 0.48493(11) 0.0403(7) Uani 1 1 d . . . . .
H2A H 0.6369 0.5113 0.4823 0.048 Uiso 1 1 calc R . . . .
C3 C 0.4861(2) 0.4812(2) 0.52490(11) 0.0395(8) Uani 1 1 d . . . . .
H3 H 0.4079 0.5095 0.5253 0.047 Uiso 1 1 calc R . . . .
C4 C 0.4740(2) 0.3732(2) 0.50491(11) 0.0372(7) Uani 1 1 d . . . . .
C5 C 0.4190(3) 0.3763(2) 0.44710(11) 0.0425(8) Uani 1 1 d . . . . .
H5 H 0.3441 0.4097 0.4509 0.051 Uiso 1 1 calc R . . . .
C6 C 0.4920(3) 0.4375(2) 0.40782(11) 0.0449(8) Uani 1 1 d . . . . .
H6A H 0.5679 0.4076 0.4036 0.054 Uiso 1 1 calc R . . . .
H6B H 0.4547 0.4385 0.3722 0.054 Uiso 1 1 calc R . . . .
C7 C 0.5794(3) 0.6456(3) 0.50465(12) 0.0550(9) Uani 1 1 d . . . . .
C8 C 0.6863(4) 0.6796(3) 0.51217(16) 0.0842(14) Uani 1 1 d . . . . .
H8A H 0.6974 0.7436 0.5236 0.101 Uiso 1 1 calc R . . . .
H8B H 0.7501 0.6394 0.5060 0.101 Uiso 1 1 calc R . . . .
C9 C 0.4760(4) 0.7072(3) 0.51403(16) 0.0795(12) Uani 1 1 d . . . . .
H9A H 0.4279 0.7068 0.4819 0.119 Uiso 1 1 calc GR . . . .
H9B H 0.5001 0.7728 0.5218 0.119 Uiso 1 1 calc GR . . . .
H9C H 0.4326 0.6821 0.5445 0.119 Uiso 1 1 calc GR . . . .
C10 C 0.5339(3) 0.4899(2) 0.58158(12) 0.0504(8) Uani 1 1 d . . . . .
H10 H 0.6090 0.4671 0.5875 0.061 Uiso 1 1 calc R . . . .
C11 C 0.4793(5) 0.5266(3) 0.62326(17) 0.0788(13) Uani 1 1 d . . . . .
H11A H 0.512(3) 0.532(2) 0.6620(14) 0.069(10) Uiso 1 1 d . . . . .
H11B H 0.396(4) 0.550(3) 0.6206(15) 0.089(14) Uiso 1 1 d . . . . .
C12 C 0.4000(2) 0.3154(2) 0.54503(12) 0.0383(7) Uani 1 1 d . . . . .
C13 C 0.4375(3) 0.2198(2) 0.57222(12) 0.0441(8) Uani 1 1 d . . . . .
C14 C 0.5307(3) 0.2291(3) 0.65766(13) 0.0588(10) Uani 1 1 d . . . . .
C15 C 0.3497(3) 0.2104(3) 0.61946(12) 0.0512(9) Uani 1 1 d . . . . .
H15 H 0.3279 0.1425 0.6264 0.061 Uiso 1 1 calc R . . . .
C16 C 0.2460(3) 0.2725(3) 0.60415(13) 0.0544(9) Uani 1 1 d . . . . .
H16 H 0.1893 0.2305 0.5857 0.065 Uiso 1 1 calc R . . . .
C17 C 0.2957(3) 0.3403(3) 0.56249(12) 0.0492(9) Uani 1 1 d . . . . .
H17 H 0.2565 0.3953 0.5500 0.059 Uiso 1 1 calc R . . . .
C18 C 0.4356(3) 0.1326(2) 0.53268(13) 0.0554(9) Uani 1 1 d . . . . .
H18A H 0.3569 0.1254 0.5189 0.066 Uiso 1 1 calc R . . . .
H18B H 0.4849 0.1483 0.5017 0.066 Uiso 1 1 calc R . . . .
C19 C 0.4739(3) 0.0355(3) 0.55514(14) 0.0582(9) Uani 1 1 d . . . . .
C20 C 0.6015(3) 0.0133(3) 0.5514(2) 0.0925(14) Uani 1 1 d . . . . .
H20A H 0.6236 0.0078 0.5137 0.139 Uiso 1 1 calc GR . . . .
H20B H 0.6175 -0.0469 0.5699 0.139 Uiso 1 1 calc GR . . . .
H20C H 0.6450 0.0650 0.5683 0.139 Uiso 1 1 calc GR . . . .
C21 C 0.3992(4) -0.0279(3) 0.57590(18) 0.0709(12) Uani 1 1 d . . . . .
H21A H 0.314(3) -0.014(3) 0.5736(12) 0.065(11) Uiso 1 1 d . . . . .
H21B H 0.430(3) -0.092(3) 0.5896(14) 0.077(12) Uiso 1 1 d . . . . .
C22 C 0.6035(3) 0.3075(3) 0.68287(15) 0.0778(12) Uani 1 1 d . . . . .
H22A H 0.6838 0.2963 0.6743 0.117 Uiso 1 1 calc GR . . . .
H22B H 0.5932 0.3069 0.7219 0.117 Uiso 1 1 calc GR . . . .
H22C H 0.5801 0.3698 0.6686 0.117 Uiso 1 1 calc GR . . . .
C23 C 0.5595(4) 0.1288(3) 0.68073(16) 0.0835(12) Uani 1 1 d . . . . .
H23A H 0.5084 0.0812 0.6650 0.125 Uiso 1 1 calc GR . . . .
H23B H 0.5497 0.1295 0.7197 0.125 Uiso 1 1 calc GR . . . .
H23C H 0.6386 0.1126 0.6720 0.125 Uiso 1 1 calc GR . . . .
C24 C 0.1849(3) 0.3222(3) 0.65156(15) 0.0833(14) Uani 1 1 d . . . . .
H24A H 0.2387 0.3642 0.6702 0.125 Uiso 1 1 calc GR . . . .
H24B H 0.1564 0.2738 0.6765 0.125 Uiso 1 1 calc GR . . . .
H24C H 0.1210 0.3601 0.6379 0.125 Uiso 1 1 calc GR . . . .
C25 C 0.3934(3) 0.2770(3) 0.42198(13) 0.0593(9) Uani 1 1 d . . . . .
H25A H 0.3617 0.2856 0.3859 0.089 Uiso 1 1 calc GR . . . .
H25B H 0.3382 0.2429 0.4444 0.089 Uiso 1 1 calc GR . . . .
H25C H 0.4640 0.2399 0.4197 0.089 Uiso 1 1 calc GR . . . .
C26 C 0.6226(3) 0.7686(2) 0.33275(15) 0.0577(9) Uani 1 1 d . . . . .
C27 C 0.7533(3) 0.7490(3) 0.33870(19) 0.0858(13) Uani 1 1 d . . . . .
H27A H 0.7684 0.7211 0.3740 0.129 Uiso 1 1 calc GR . . . .
H27B H 0.7952 0.8092 0.3351 0.129 Uiso 1 1 calc GR . . . .
H27C H 0.7779 0.7045 0.3107 0.129 Uiso 1 1 calc GR . . . .
C28 C 0.6019(4) 0.8239(3) 0.27901(17) 0.0897(14) Uani 1 1 d . . . . .
H28A H 0.6331 0.7869 0.2491 0.135 Uiso 1 1 calc GR . . . .
H28B H 0.6397 0.8862 0.2807 0.135 Uiso 1 1 calc GR . . . .
H28C H 0.5199 0.8331 0.2737 0.135 Uiso 1 1 calc GR . . . .
C29 C 0.5850(4) 0.8342(3) 0.38014(17) 0.0838(13) Uani 1 1 d . . . . .
H29A H 0.5048 0.8519 0.3756 0.126 Uiso 1 1 calc GR . . . .
H29B H 0.6321 0.8920 0.3805 0.126 Uiso 1 1 calc GR . . . .
H29C H 0.5946 0.7998 0.4141 0.126 Uiso 1 1 calc GR . . . .
C30 C 0.6082(3) 0.5711(3) 0.27688(13) 0.0473(8) Uani 1 1 d . . . . .
C31 C 0.6847(3) 0.4951(3) 0.28723(15) 0.0649(10) Uani 1 1 d . . . . .
H31 H 0.7025 0.4795 0.3233 0.078 Uiso 1 1 calc R . . . .
C32 C 0.7352(3) 0.4420(3) 0.24559(19) 0.0753(12) Uani 1 1 d . . . . .
H32 H 0.7856 0.3910 0.2538 0.090 Uiso 1 1 calc R . . . .
C33 C 0.7112(4) 0.4644(3) 0.19236(18) 0.0748(12) Uani 1 1 d . . . . .
H33 H 0.7459 0.4291 0.1642 0.090 Uiso 1 1 calc R . . . .
C34 C 0.6361(3) 0.5386(3) 0.18050(15) 0.0667(11) Uani 1 1 d . . . . .
H34 H 0.6196 0.5539 0.1443 0.080 Uiso 1 1 calc R . . . .
C35 C 0.5852(3) 0.5903(3) 0.22187(14) 0.0566(9) Uani 1 1 d . . . . .
H35 H 0.5334 0.6400 0.2131 0.068 Uiso 1 1 calc R . . . .
C36 C 0.3835(3) 0.6523(2) 0.32560(13) 0.0464(8) Uani 1 1 d . . . . .
C37 C 0.3136(3) 0.7149(3) 0.35554(15) 0.0674(11) Uani 1 1 d . . . . .
H37 H 0.3486 0.7571 0.3804 0.081 Uiso 1 1 calc R . . . .
C38 C 0.1938(4) 0.7171(4) 0.3500(2) 0.0831(13) Uani 1 1 d . . . . .
H38 H 0.1495 0.7598 0.3710 0.100 Uiso 1 1 calc R . . . .
C39 C 0.1413(4) 0.6565(4) 0.31351(19) 0.0851(15) Uani 1 1 d . . . . .
H39 H 0.0610 0.6583 0.3090 0.102 Uiso 1 1 calc R . . . .
C40 C 0.2067(4) 0.5929(4) 0.28364(17) 0.0851(15) Uani 1 1 d . . . . .
H40 H 0.1710 0.5510 0.2588 0.102 Uiso 1 1 calc R . . . .
C41 C 0.3261(3) 0.5906(3) 0.29024(14) 0.0640(11) Uani 1 1 d . . . . .
H41 H 0.3692 0.5459 0.2701 0.077 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 O1 1.634(2) . ?
Si1 C26 1.886(4) . ?
Si1 C30 1.871(3) . ?
Si1 C36 1.880(3) . ?
O1 C1 1.432(3) . ?
O2 C4 1.433(3) . ?
O3 C13 1.434(3) . ?
O3 C14 1.457(4) . ?
O4 C14 1.411(4) . ?
O4 C15 1.428(4) . ?
C1 C2 1.520(4) . ?
C1 C6 1.516(4) . ?
C2 C3 1.546(4) . ?
C2 C7 1.510(5) . ?
C3 C4 1.565(4) . ?
C3 C10 1.495(4) . ?
C4 C5 1.549(4) . ?
C4 C12 1.522(4) . ?
C5 C6 1.526(4) . ?
C5 C25 1.522(4) . ?
C7 C8 1.327(5) . ?
C7 C9 1.477(5) . ?
C10 C11 1.298(5) . ?
C12 C13 1.531(4) . ?
C12 C17 1.319(4) . ?
C13 C15 1.539(4) . ?
C13 C18 1.538(4) . ?
C14 C22 1.495(5) . ?
C14 C23 1.523(5) . ?
C15 C16 1.512(4) . ?
C16 C17 1.492(4) . ?
C16 C24 1.517(5) . ?
C18 C19 1.505(5) . ?
C19 C20 1.501(5) . ?
C19 C21 1.324(5) . ?
C26 C27 1.533(5) . ?
C26 C28 1.535(5) . ?
C26 C29 1.529(5) . ?
C30 C31 1.387(5) . ?
C30 C35 1.395(4) . ?
C31 C32 1.379(5) . ?
C32 C33 1.364(5) . ?
C33 C34 1.366(5) . ?
C34 C35 1.367(5) . ?
C36 C37 1.385(5) . ?
C36 C41 1.377(5) . ?
C37 C38 1.386(5) . ?
C38 C39 1.360(6) . ?
C39 C40 1.363(6) . ?
C40 C41 1.383(5) . ?

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 C26 105.82(14) . . ?
O1 Si1 C30 108.70(13) . . ?
O1 Si1 C36 109.75(13) . . ?
C30 Si1 C26 107.89(16) . . ?
C30 Si1 C36 109.05(15) . . ?
C36 Si1 C26 115.42(15) . . ?
C1 O1 Si1 128.87(18) . . ?
C13 O3 C14 108.8(2) . . ?
C14 O4 C15 107.9(2) . . ?
O1 C1 C2 108.8(2) . . ?
O1 C1 C6 111.2(2) . . ?
C6 C1 C2 110.8(2) . . ?
C1 C2 C3 110.3(2) . . ?
C7 C2 C1 111.2(2) . . ?
C7 C2 C3 112.8(2) . . ?
C2 C3 C4 111.5(2) . . ?
C10 C3 C2 109.8(2) . . ?
C10 C3 C4 113.4(2) . . ?
O2 C4 C3 109.5(2) . . ?
O2 C4 C5 107.5(2) . . ?
O2 C4 C12 110.7(2) . . ?
C5 C4 C3 107.2(2) . . ?
C12 C4 C3 110.0(2) . . ?
C12 C4 C5 111.9(2) . . ?
C6 C5 C4 111.4(2) . . ?
C25 C5 C4 115.0(3) . . ?
C25 C5 C6 110.2(3) . . ?
C1 C6 C5 111.9(2) . . ?
C8 C7 C2 120.5(4) . . ?
C8 C7 C9 121.5(4) . . ?
C9 C7 C2 117.9(3) . . ?
C11 C10 C3 125.5(4) . . ?
C4 C12 C13 124.6(3) . . ?
C17 C12 C4 125.6(3) . . ?
C17 C12 C13 109.8(3) . . ?
O3 C13 C12 112.1(2) . . ?
O3 C13 C15 104.6(2) . . ?
O3 C13 C18 111.0(3) . . ?
C12 C13 C15 102.3(3) . . ?
C12 C13 C18 112.9(2) . . ?
C18 C13 C15 113.4(3) . . ?
O3 C14 C22 109.5(3) . . ?
O3 C14 C23 109.3(3) . . ?
O4 C14 O3 104.5(2) . . ?
O4 C14 C22 109.5(3) . . ?
O4 C14 C23 111.7(3) . . ?
C22 C14 C23 112.0(3) . . ?
O4 C15 C13 102.3(2) . . ?
O4 C15 C16 111.1(3) . . ?
C16 C15 C13 106.5(3) . . ?
C15 C16 C24 115.4(3) . . ?
C17 C16 C15 102.6(2) . . ?
C17 C16 C24 114.7(3) . . ?
C12 C17 C16 114.0(3) . . ?
C19 C18 C13 117.0(3) . . ?
C20 C19 C18 116.3(3) . . ?
C21 C19 C18 122.1(4) . . ?
C21 C19 C20 121.6(4) . . ?
C27 C26 Si1 107.6(3) . . ?
C27 C26 C28 108.7(3) . . ?
C28 C26 Si1 111.8(3) . . ?
C29 C26 Si1 112.5(2) . . ?
C29 C26 C27 108.0(3) . . ?
C29 C26 C28 108.3(3) . . ?
C31 C30 Si1 121.7(3) . . ?
C31 C30 C35 116.0(3) . . ?
C35 C30 Si1 122.3(3) . . ?
C32 C31 C30 121.9(3) . . ?
C33 C32 C31 120.0(4) . . ?
C32 C33 C34 119.8(4) . . ?
C33 C34 C35 120.0(4) . . ?
C34 C35 C30 122.2(3) . . ?
C37 C36 Si1 123.1(3) . . ?
C41 C36 Si1 121.1(3) . . ?
C41 C36 C37 115.7(3) . . ?
C36 C37 C38 122.6(4) . . ?
C39 C38 C37 119.5(4) . . ?
C38 C39 C40 119.9(4) . . ?
C39 C40 C41 119.9(4) . . ?
C36 C41 C40 122.4(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
Si1 O1 C1 C2 -158.9(2) . . . . ?
Si1 O1 C1 C6 78.8(3) . . . . ?
Si1 C30 C31 C32 -176.8(3) . . . . ?
Si1 C30 C35 C34 176.0(3) . . . . ?
Si1 C36 C37 C38 -179.1(3) . . . . ?
Si1 C36 C41 C40 -180.0(3) . . . . ?
O1 Si1 C26 C27 59.2(3) . . . . ?
O1 Si1 C26 C28 178.4(3) . . . . ?
O1 Si1 C26 C29 -59.5(3) . . . . ?
O1 Si1 C30 C31 -9.4(3) . . . . ?
O1 Si1 C30 C35 173.8(3) . . . . ?
O1 Si1 C36 C37 71.6(3) . . . . ?
O1 Si1 C36 C41 -106.3(3) . . . . ?
O1 C1 C2 C3 -178.5(2) . . . . ?
O1 C1 C2 C7 55.5(3) . . . . ?
O1 C1 C6 C5 177.6(2) . . . . ?
O2 C4 C5 C6 -60.3(3) . . . . ?
O2 C4 C5 C25 65.9(3) . . . . ?
O2 C4 C12 C13 -4.9(4) . . . . ?
O2 C4 C12 C17 173.6(3) . . . . ?
O3 C13 C15 O4 21.8(3) . . . . ?
O3 C13 C15 C16 138.5(3) . . . . ?
O3 C13 C18 C19 51.7(4) . . . . ?
O4 C15 C16 C17 90.2(3) . . . . ?
O4 C15 C16 C24 -35.3(4) . . . . ?
C1 C2 C3 C4 58.2(3) . . . . ?
C1 C2 C3 C10 -175.2(3) . . . . ?
C1 C2 C7 C8 -113.7(4) . . . . ?
C1 C2 C7 C9 65.1(4) . . . . ?
C2 C1 C6 C5 56.6(3) . . . . ?
C2 C3 C4 O2 58.5(3) . . . . ?
C2 C3 C4 C5 -57.8(3) . . . . ?
C2 C3 C4 C12 -179.7(2) . . . . ?
C2 C3 C10 C11 117.6(4) . . . . ?
C3 C2 C7 C8 121.8(3) . . . . ?
C3 C2 C7 C9 -59.5(4) . . . . ?
C3 C4 C5 C6 57.4(3) . . . . ?
C3 C4 C5 C25 -176.4(3) . . . . ?
C3 C4 C12 C13 -126.0(3) . . . . ?
C3 C4 C12 C17 52.5(4) . . . . ?
C4 C3 C10 C11 -116.9(4) . . . . ?
C4 C5 C6 C1 -58.3(3) . . . . ?
C4 C12 C13 O3 52.5(4) . . . . ?
C4 C12 C13 C15 164.1(3) . . . . ?
C4 C12 C13 C18 -73.7(3) . . . . ?
C4 C12 C17 C16 -176.8(3) . . . . ?
C5 C4 C12 C13 115.0(3) . . . . ?
C5 C4 C12 C17 -66.5(4) . . . . ?
C6 C1 C2 C3 -56.0(3) . . . . ?
C6 C1 C2 C7 178.0(3) . . . . ?
C7 C2 C3 C4 -176.7(2) . . . . ?
C7 C2 C3 C10 -50.2(3) . . . . ?
C10 C3 C4 O2 -66.1(3) . . . . ?
C10 C3 C4 C5 177.6(3) . . . . ?
C10 C3 C4 C12 55.7(3) . . . . ?
C12 C4 C5 C6 178.0(2) . . . . ?
C12 C4 C5 C25 -55.8(4) . . . . ?
C12 C13 C15 O4 -95.2(3) . . . . ?
C12 C13 C15 C16 21.5(3) . . . . ?
C12 C13 C18 C19 178.5(3) . . . . ?
C13 O3 C14 O4 -18.1(3) . . . . ?
C13 O3 C14 C22 -135.3(3) . . . . ?
C13 O3 C14 C23 101.6(3) . . . . ?
C13 C12 C17 C16 1.9(4) . . . . ?
C13 C15 C16 C17 -20.4(3) . . . . ?
C13 C15 C16 C24 -145.9(3) . . . . ?
C13 C18 C19 C20 -88.6(4) . . . . ?
C13 C18 C19 C21 92.9(4) . . . . ?
C14 O3 C13 C12 107.5(3) . . . . ?
C14 O3 C13 C15 -2.5(3) . . . . ?
C14 O3 C13 C18 -125.2(3) . . . . ?
C14 O4 C15 C13 -34.4(3) . . . . ?
C14 O4 C15 C16 -147.7(3) . . . . ?
C15 O4 C14 O3 33.4(3) . . . . ?
C15 O4 C14 C22 150.7(3) . . . . ?
C15 O4 C14 C23 -84.6(3) . . . . ?
C15 C13 C18 C19 -65.7(4) . . . . ?
C15 C16 C17 C12 11.9(4) . . . . ?
C17 C12 C13 O3 -126.2(3) . . . . ?
C17 C12 C13 C15 -14.7(3) . . . . ?
C17 C12 C13 C18 107.5(3) . . . . ?
C18 C13 C15 O4 143.0(3) . . . . ?
C18 C13 C15 C16 -100.4(3) . . . . ?
C24 C16 C17 C12 137.9(3) . . . . ?
C25 C5 C6 C1 172.9(3) . . . . ?
C26 Si1 O1 C1 140.0(2) . . . . ?
C26 Si1 C30 C31 104.9(3) . . . . ?
C26 Si1 C30 C35 -71.9(3) . . . . ?
C26 Si1 C36 C37 -47.8(3) . . . . ?
C26 Si1 C36 C41 134.2(3) . . . . ?
C30 Si1 O1 C1 -104.3(3) . . . . ?
C30 Si1 C26 C27 -57.0(3) . . . . ?
C30 Si1 C26 C28 62.2(3) . . . . ?
C30 Si1 C26 C29 -175.7(3) . . . . ?
C30 Si1 C36 C37 -169.4(3) . . . . ?
C30 Si1 C36 C41 12.6(3) . . . . ?
C30 C31 C32 C33 0.6(6) . . . . ?
C31 C30 C35 C34 -1.0(5) . . . . ?
C31 C32 C33 C34 -0.8(6) . . . . ?
C32 C33 C34 C35 0.0(6) . . . . ?
C33 C34 C35 C30 0.9(6) . . . . ?
C35 C30 C31 C32 0.2(5) . . . . ?
C36 Si1 O1 C1 14.9(3) . . . . ?
C36 Si1 C26 C27 -179.2(3) . . . . ?
C36 Si1 C26 C28 -60.0(3) . . . . ?
C36 Si1 C26 C29 62.1(3) . . . . ?
C36 Si1 C30 C31 -129.0(3) . . . . ?
C36 Si1 C30 C35 54.2(3) . . . . ?
C36 C37 C38 C39 -0.5(6) . . . . ?
C37 C36 C41 C40 1.9(5) . . . . ?
C37 C38 C39 C40 1.3(7) . . . . ?
C38 C39 C40 C41 -0.4(7) . . . . ?
C39 C40 C41 C36 -1.3(6) . . . . ?
C41 C36 C37 C38 -1.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_191202_s4_ytz
_audit_block_doi                 10.5517/ccdc.csd.cc24s1qq
_database_code_depnum_ccdc_archive 'CCDC 1989323'
loop_
_audit_author_name
_audit_author_address
'Tianzi Yu'
;sichuan university
China
;
_audit_update_record             
;
2020-03-10 deposited with the CCDC.	2020-06-18 downloaded from the CCDC.
;
_audit_creation_date             2019-12-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C36 H47 O3 Si'
_chemical_formula_sum            'C36 H47 O3 Si'
_chemical_formula_weight         555.82
_chemical_absolute_configuration unk
_chemical_melting_point          ?
_chemical_oxdiff_formula         c12h12n2o2si1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   10.7809(7)
_cell_length_b                   12.9537(10)
_cell_length_c                   23.2649(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3249.0(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2668
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.8860
_cell_measurement_theta_min      3.8500
_shelx_estimated_absorpt_T_max   0.974
_shelx_estimated_absorpt_T_min   0.964
_exptl_absorpt_coefficient_mu    0.105
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.136
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1204
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0599
_diffrn_reflns_av_unetI/netI     0.0920
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            10558
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.018
_diffrn_ambient_temperature      293.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0874
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -80.40    2.00   0.8000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.8106  -57.0000  -90.0000 103

#__ type_ start__ end____ width___ exp.time_
  2 omega  -14.00   12.40   0.8000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.8106  -99.0000 -180.0000 33

#__ type_ start__ end____ width___ exp.time_
  3 omega  -22.00   24.40   0.8000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       16.9981  -38.0000  -30.0000 58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0098347000
_diffrn_orient_matrix_UB_12      0.0118834000
_diffrn_orient_matrix_UB_13      -0.0293616000
_diffrn_orient_matrix_UB_21      0.0065182000
_diffrn_orient_matrix_UB_22      -0.0533651000
_diffrn_orient_matrix_UB_23      -0.0062528000
_diffrn_orient_matrix_UB_31      -0.0647588000
_diffrn_orient_matrix_UB_32      -0.0036806000
_diffrn_orient_matrix_UB_33      -0.0050970000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.704
_reflns_Friedel_fraction_full    0.924
_reflns_Friedel_fraction_max     0.901
_reflns_number_gt                4624
_reflns_number_total             6350
_reflns_odcompleteness_completeness 99.71
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_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    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.243
_refine_diff_density_rms         0.054
_refine_ls_abs_structure_details 
;
 Flack x determined using 1250 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.06(19)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         6350
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0929
_refine_ls_R_factor_gt           0.0681
_refine_ls_restrained_S_all      1.016
_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)+(0.0660P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1419
_refine_ls_wR_factor_ref         0.1623
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C5(H5), C9(H9), C10(H10), C11(H11), C13(H13)
2.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C12(H12A,H12B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C8(H8), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C32(H32),
 C33(H33), C34(H34), C35(H35), C36(H36)
2.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C), C19(H19A,H19B,
 H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C24(H24A,
 H24B,H24C)
2.e Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
Si16 Si 0.39005(10) 0.37658(10) 0.40332(5) 0.0363(3) Uani 1 1 d . . . . .
O1 O 0.5005(4) 0.7891(4) 0.7628(2) 0.0957(15) Uani 1 1 d . . . . .
O2 O 0.4609(3) 0.4368(2) 0.45527(12) 0.0445(8) Uani 1 1 d . . . . .
O3 O 0.5316(3) 0.4356(2) 0.64659(13) 0.0440(8) Uani 1 1 d . . . . .
H3 H 0.5145 0.4047 0.6763 0.066 Uiso 1 1 calc GR . . . .
C1 C 0.3901(4) 0.5613(4) 0.69036(17) 0.0406(10) Uani 1 1 d . . . . .
H1 H 0.3449 0.5086 0.7122 0.049 Uiso 1 1 calc R . . . .
C2 C 0.3013(5) 0.6473(4) 0.6793(2) 0.0523(13) Uani 1 1 d . . . . .
H2 H 0.2306 0.6389 0.6569 0.063 Uiso 1 1 calc R . . . .
C3 C 0.3306(5) 0.7369(4) 0.7037(2) 0.0572(14) Uani 1 1 d . . . . .
C4 C 0.4452(6) 0.7228(4) 0.7358(2) 0.0599(14) Uani 1 1 d . . . . .
C5 C 0.4835(4) 0.6105(4) 0.73178(18) 0.0469(12) Uani 1 1 d . . . . .
H5 H 0.4696 0.5796 0.7697 0.056 Uiso 1 1 calc R . . . .
C6 C 0.6220(5) 0.6033(4) 0.71939(19) 0.0532(13) Uani 1 1 d . . . . .
H6A H 0.6670 0.6340 0.7512 0.064 Uiso 1 1 calc R . . . .
H6B H 0.6453 0.5311 0.7174 0.064 Uiso 1 1 calc R . . . .
C7 C 0.6612(4) 0.6555(4) 0.6647(2) 0.0429(11) Uani 1 1 d . . . . .
C8 C 0.6046(4) 0.6497(3) 0.61432(18) 0.0385(10) Uani 1 1 d . . . . .
H8 H 0.6400 0.6917 0.5864 0.046 Uiso 1 1 calc R . . . .
C9 C 0.4945(4) 0.5891(3) 0.59267(17) 0.0344(9) Uani 1 1 d . . . . .
H9 H 0.4293 0.6397 0.5846 0.041 Uiso 1 1 calc R . . . .
C10 C 0.5302(4) 0.5407(3) 0.53403(17) 0.0346(9) Uani 1 1 d . . . . .
H10 H 0.5957 0.4898 0.5413 0.042 Uiso 1 1 calc R . . . .
C11 C 0.4198(4) 0.4827(3) 0.50778(17) 0.0344(10) Uani 1 1 d . . . . .
H11 H 0.3542 0.5326 0.4990 0.041 Uiso 1 1 calc R . . . .
C12 C 0.3690(4) 0.4038(3) 0.54870(18) 0.0416(11) Uani 1 1 d . . . . .
H12A H 0.4325 0.3529 0.5571 0.050 Uiso 1 1 calc R . . . .
H12B H 0.2996 0.3685 0.5310 0.050 Uiso 1 1 calc R . . . .
C13 C 0.3266(4) 0.4544(4) 0.60436(19) 0.0391(10) Uani 1 1 d . . . . .
H13 H 0.2662 0.5079 0.5941 0.047 Uiso 1 1 calc R . . . .
C14 C 0.4365(4) 0.5088(3) 0.63420(17) 0.0342(9) Uani 1 1 d . . . . .
C15 C 0.2643(6) 0.8370(5) 0.7016(3) 0.090(2) Uani 1 1 d . . . . .
H15A H 0.1912 0.8302 0.6783 0.135 Uiso 1 1 calc GR . . . .
H15B H 0.3177 0.8886 0.6853 0.135 Uiso 1 1 calc GR . . . .
H15C H 0.2411 0.8572 0.7398 0.135 Uiso 1 1 calc GR . . . .
C16 C 0.7762(5) 0.7202(5) 0.6716(2) 0.0654(16) Uani 1 1 d . . . . .
H16A H 0.8008 0.7471 0.6349 0.098 Uiso 1 1 calc GR . . . .
H16B H 0.8418 0.6785 0.6870 0.098 Uiso 1 1 calc GR . . . .
H16C H 0.7594 0.7764 0.6974 0.098 Uiso 1 1 calc GR . . . .
C17 C 0.5820(4) 0.6196(4) 0.49220(18) 0.0504(12) Uani 1 1 d . . . . .
C18 C 0.5034(6) 0.7062(5) 0.4747(3) 0.0779(19) Uani 1 1 d . . . . .
H18A H 0.4260 0.6803 0.4602 0.117 Uiso 1 1 calc GR . . . .
H18B H 0.5446 0.7451 0.4452 0.117 Uiso 1 1 calc GR . . . .
H18C H 0.4880 0.7499 0.5073 0.117 Uiso 1 1 calc GR . . . .
C19 C 0.6993(5) 0.6077(6) 0.4723(2) 0.082(2) Uani 1 1 d . . . . .
H19A H 0.7572 0.6253 0.5021 0.123 Uiso 1 1 calc GR . . . .
H19B H 0.7119 0.6522 0.4398 0.123 Uiso 1 1 calc GR . . . .
H19C H 0.7119 0.5373 0.4609 0.123 Uiso 1 1 calc GR . . . .
C20 C 0.2597(4) 0.3762(5) 0.6426(2) 0.0547(13) Uani 1 1 d . . . . .
H20A H 0.3197 0.3330 0.6614 0.082 Uiso 1 1 calc GR . . . .
H20B H 0.2058 0.3344 0.6195 0.082 Uiso 1 1 calc GR . . . .
H20C H 0.2118 0.4122 0.6710 0.082 Uiso 1 1 calc GR . . . .
C21 C 0.4750(4) 0.4169(4) 0.33613(19) 0.0455(12) Uani 1 1 d . . . . .
C22 C 0.4537(6) 0.5317(5) 0.3235(3) 0.082(2) Uani 1 1 d . . . . .
H22A H 0.3688 0.5425 0.3127 0.124 Uiso 1 1 calc GR . . . .
H22B H 0.5070 0.5531 0.2927 0.124 Uiso 1 1 calc GR . . . .
H22C H 0.4721 0.5715 0.3573 0.124 Uiso 1 1 calc GR . . . .
C23 C 0.6135(4) 0.4026(5) 0.3459(3) 0.0693(16) Uani 1 1 d . . . . .
H23A H 0.6395 0.4441 0.3779 0.104 Uiso 1 1 calc GR . . . .
H23B H 0.6579 0.4233 0.3120 0.104 Uiso 1 1 calc GR . . . .
H23C H 0.6305 0.3313 0.3539 0.104 Uiso 1 1 calc GR . . . .
C24 C 0.4347(7) 0.3551(7) 0.2850(2) 0.115(3) Uani 1 1 d . . . . .
H24A H 0.4497 0.2832 0.2920 0.173 Uiso 1 1 calc GR . . . .
H24B H 0.4809 0.3767 0.2518 0.173 Uiso 1 1 calc GR . . . .
H24C H 0.3478 0.3660 0.2783 0.173 Uiso 1 1 calc GR . . . .
C25 C 0.2210(4) 0.4131(4) 0.39987(19) 0.0397(10) Uani 1 1 d . . . . .
C26 C 0.1251(4) 0.3414(4) 0.3969(2) 0.0480(12) Uani 1 1 d . . . . .
H26 H 0.1437 0.2714 0.3983 0.058 Uiso 1 1 calc R . . . .
C27 C 0.0020(4) 0.3721(5) 0.3918(2) 0.0564(13) Uani 1 1 d . . . . .
H27 H -0.0602 0.3226 0.3899 0.068 Uiso 1 1 calc R . . . .
C28 C -0.0281(5) 0.4740(5) 0.3898(2) 0.0610(15) Uani 1 1 d . . . . .
H28 H -0.1105 0.4942 0.3859 0.073 Uiso 1 1 calc R . . . .
C29 C 0.0632(5) 0.5463(4) 0.3933(3) 0.0625(14) Uani 1 1 d . . . . .
H29 H 0.0429 0.6160 0.3920 0.075 Uiso 1 1 calc R . . . .
C30 C 0.1868(4) 0.5169(4) 0.3989(2) 0.0495(12) Uani 1 1 d . . . . .
H30 H 0.2478 0.5674 0.4019 0.059 Uiso 1 1 calc R . . . .
C31 C 0.4081(4) 0.2341(4) 0.41273(19) 0.0421(11) Uani 1 1 d . . . . .
C32 C 0.3495(5) 0.1630(4) 0.3764(3) 0.0650(16) Uani 1 1 d . . . . .
H32 H 0.2968 0.1867 0.3476 0.078 Uiso 1 1 calc R . . . .
C33 C 0.3688(6) 0.0575(5) 0.3828(4) 0.087(2) Uani 1 1 d . . . . .
H33 H 0.3271 0.0113 0.3591 0.105 Uiso 1 1 calc R . . . .
C34 C 0.4487(6) 0.0214(4) 0.4236(3) 0.0763(18) Uani 1 1 d . . . . .
H34 H 0.4634 -0.0491 0.4268 0.092 Uiso 1 1 calc R . . . .
C35 C 0.5066(5) 0.0885(5) 0.4593(3) 0.0654(16) Uani 1 1 d . . . . .
H35 H 0.5596 0.0636 0.4877 0.078 Uiso 1 1 calc R . . . .
C36 C 0.4875(4) 0.1936(4) 0.4540(2) 0.0513(13) Uani 1 1 d . . . . .
H36 H 0.5289 0.2384 0.4787 0.062 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
Si16 O2 1.629(3) . ?
Si16 C21 1.886(5) . ?
Si16 C25 1.885(4) . ?
Si16 C31 1.868(5) . ?
O1 C4 1.219(6) . ?
O2 C11 1.429(5) . ?
O3 H3 0.8200 . ?
O3 C14 1.425(5) . ?
C1 H1 0.9800 . ?
C1 C2 1.491(7) . ?
C1 C5 1.533(6) . ?
C1 C14 1.556(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.330(7) . ?
C3 C4 1.455(8) . ?
C3 C15 1.481(7) . ?
C4 C5 1.515(7) . ?
C5 H5 0.9800 . ?
C5 C6 1.524(7) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.502(7) . ?
C7 C8 1.323(6) . ?
C7 C16 1.505(7) . ?
C8 H8 0.9300 . ?
C8 C9 1.509(6) . ?
C9 H9 0.9800 . ?
C9 C10 1.550(6) . ?
C9 C14 1.551(5) . ?
C10 H10 0.9800 . ?
C10 C11 1.534(6) . ?
C10 C17 1.517(6) . ?
C11 H11 0.9800 . ?
C11 C12 1.500(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.522(6) . ?
C13 H13 0.9800 . ?
C13 C14 1.544(6) . ?
C13 C20 1.529(6) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.464(7) . ?
C17 C19 1.355(7) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.533(7) . ?
C21 C23 1.521(6) . ?
C21 C24 1.499(7) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.391(6) . ?
C25 C30 1.394(6) . ?
C26 H26 0.9300 . ?
C26 C27 1.390(6) . ?
C27 H27 0.9300 . ?
C27 C28 1.360(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.361(7) . ?
C29 H29 0.9300 . ?
C29 C30 1.392(6) . ?
C30 H30 0.9300 . ?
C31 C32 1.401(6) . ?
C31 C36 1.390(6) . ?
C32 H32 0.9300 . ?
C32 C33 1.390(8) . ?
C33 H33 0.9300 . ?
C33 C34 1.364(9) . ?
C34 H34 0.9300 . ?
C34 C35 1.356(8) . ?
C35 H35 0.9300 . ?
C35 C36 1.383(7) . ?
C36 H36 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
O2 Si16 C21 104.74(19) . . ?
O2 Si16 C25 111.43(18) . . ?
O2 Si16 C31 109.71(18) . . ?
C25 Si16 C21 111.4(2) . . ?
C31 Si16 C21 108.7(2) . . ?
C31 Si16 C25 110.7(2) . . ?
C11 O2 Si16 133.5(3) . . ?
C14 O3 H3 109.5 . . ?
C2 C1 H1 106.9 . . ?
C2 C1 C5 102.7(4) . . ?
C2 C1 C14 112.8(4) . . ?
C5 C1 H1 106.9 . . ?
C5 C1 C14 119.9(4) . . ?
C14 C1 H1 106.9 . . ?
C1 C2 H2 122.4 . . ?
C3 C2 C1 115.2(5) . . ?
C3 C2 H2 122.4 . . ?
C2 C3 C4 108.1(5) . . ?
C2 C3 C15 129.5(6) . . ?
C4 C3 C15 122.4(6) . . ?
O1 C4 C3 126.2(6) . . ?
O1 C4 C5 125.1(6) . . ?
C3 C4 C5 108.7(5) . . ?
C1 C5 H5 107.2 . . ?
C4 C5 C1 105.0(4) . . ?
C4 C5 H5 107.2 . . ?
C4 C5 C6 109.7(5) . . ?
C6 C5 C1 120.0(4) . . ?
C6 C5 H5 107.2 . . ?
C5 C6 H6A 108.7 . . ?
C5 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
C7 C6 C5 114.1(4) . . ?
C7 C6 H6A 108.7 . . ?
C7 C6 H6B 108.7 . . ?
C6 C7 C16 113.0(4) . . ?
C8 C7 C6 126.5(4) . . ?
C8 C7 C16 120.5(4) . . ?
C7 C8 H8 113.3 . . ?
C7 C8 C9 133.5(4) . . ?
C9 C8 H8 113.3 . . ?
C8 C9 H9 106.2 . . ?
C8 C9 C10 108.0(3) . . ?
C8 C9 C14 117.2(3) . . ?
C10 C9 H9 106.2 . . ?
C10 C9 C14 112.2(3) . . ?
C14 C9 H9 106.2 . . ?
C9 C10 H10 107.4 . . ?
C11 C10 C9 110.8(3) . . ?
C11 C10 H10 107.4 . . ?
C17 C10 C9 112.6(4) . . ?
C17 C10 H10 107.4 . . ?
C17 C10 C11 111.1(3) . . ?
O2 C11 C10 107.7(3) . . ?
O2 C11 H11 108.6 . . ?
O2 C11 C12 111.9(3) . . ?
C10 C11 H11 108.6 . . ?
C12 C11 C10 111.3(3) . . ?
C12 C11 H11 108.6 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 C13 110.9(4) . . ?
H12A C12 H12B 108.1 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
C12 C13 H13 107.3 . . ?
C12 C13 C14 110.4(3) . . ?
C12 C13 C20 110.6(4) . . ?
C14 C13 H13 107.3 . . ?
C20 C13 H13 107.3 . . ?
C20 C13 C14 113.7(4) . . ?
O3 C14 C1 110.6(3) . . ?
O3 C14 C9 106.4(3) . . ?
O3 C14 C13 109.9(3) . . ?
C9 C14 C1 111.1(3) . . ?
C13 C14 C1 109.3(3) . . ?
C13 C14 C9 109.6(3) . . ?
C3 C15 H15A 109.5 . . ?
C3 C15 H15B 109.5 . . ?
C3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C7 C16 H16A 109.5 . . ?
C7 C16 H16B 109.5 . . ?
C7 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C10 118.8(4) . . ?
C19 C17 C10 119.1(5) . . ?
C19 C17 C18 122.1(6) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C13 C20 H20A 109.5 . . ?
C13 C20 H20B 109.5 . . ?
C13 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Si16 110.8(3) . . ?
C23 C21 Si16 108.6(3) . . ?
C23 C21 C22 107.1(5) . . ?
C24 C21 Si16 111.7(4) . . ?
C24 C21 C22 108.8(5) . . ?
C24 C21 C23 109.7(5) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 Si16 123.6(4) . . ?
C26 C25 C30 116.5(4) . . ?
C30 C25 Si16 119.9(3) . . ?
C25 C26 H26 119.2 . . ?
C27 C26 C25 121.5(5) . . ?
C27 C26 H26 119.2 . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.6(5) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 120.3 . . ?
C27 C28 C29 119.5(5) . . ?
C29 C28 H28 120.3 . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C30 120.7(5) . . ?
C30 C29 H29 119.7 . . ?
C25 C30 H30 119.4 . . ?
C29 C30 C25 121.2(5) . . ?
C29 C30 H30 119.4 . . ?
C32 C31 Si16 122.2(4) . . ?
C36 C31 Si16 121.2(3) . . ?
C36 C31 C32 116.5(5) . . ?
C31 C32 H32 119.5 . . ?
C33 C32 C31 121.0(6) . . ?
C33 C32 H32 119.5 . . ?
C32 C33 H33 119.8 . . ?
C34 C33 C32 120.4(6) . . ?
C34 C33 H33 119.8 . . ?
C33 C34 H34 120.1 . . ?
C35 C34 C33 119.8(5) . . ?
C35 C34 H34 120.1 . . ?
C34 C35 H35 119.7 . . ?
C34 C35 C36 120.6(6) . . ?
C36 C35 H35 119.7 . . ?
C31 C36 H36 119.2 . . ?
C35 C36 C31 121.7(5) . . ?
C35 C36 H36 119.2 . . ?

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
Si16 O2 C11 C10 -172.2(3) . . . . ?
Si16 O2 C11 C12 65.2(5) . . . . ?
Si16 C25 C26 C27 -177.1(4) . . . . ?
Si16 C25 C30 C29 176.6(4) . . . . ?
Si16 C31 C32 C33 177.1(5) . . . . ?
Si16 C31 C36 C35 -176.5(4) . . . . ?
O1 C4 C5 C1 -176.4(5) . . . . ?
O1 C4 C5 C6 -46.2(7) . . . . ?
O2 Si16 C21 C22 -67.7(4) . . . . ?
O2 Si16 C21 C23 49.6(4) . . . . ?
O2 Si16 C21 C24 170.8(5) . . . . ?
O2 Si16 C25 C26 -130.4(4) . . . . ?
O2 Si16 C25 C30 51.1(4) . . . . ?
O2 Si16 C31 C32 175.6(4) . . . . ?
O2 Si16 C31 C36 -8.8(4) . . . . ?
O2 C11 C12 C13 179.7(3) . . . . ?
C1 C2 C3 C4 -0.5(6) . . . . ?
C1 C2 C3 C15 179.9(5) . . . . ?
C1 C5 C6 C7 62.5(6) . . . . ?
C2 C1 C5 C4 -5.1(5) . . . . ?
C2 C1 C5 C6 -129.0(5) . . . . ?
C2 C1 C14 O3 173.2(4) . . . . ?
C2 C1 C14 C9 55.3(5) . . . . ?
C2 C1 C14 C13 -65.8(5) . . . . ?
C2 C3 C4 O1 178.6(6) . . . . ?
C2 C3 C4 C5 -3.0(6) . . . . ?
C3 C4 C5 C1 5.1(5) . . . . ?
C3 C4 C5 C6 135.3(4) . . . . ?
C4 C5 C6 C7 -59.1(5) . . . . ?
C5 C1 C2 C3 3.7(6) . . . . ?
C5 C1 C14 O3 52.1(5) . . . . ?
C5 C1 C14 C9 -65.8(5) . . . . ?
C5 C1 C14 C13 173.2(4) . . . . ?
C5 C6 C7 C8 -44.4(7) . . . . ?
C5 C6 C7 C16 134.9(5) . . . . ?
C6 C7 C8 C9 -4.5(8) . . . . ?
C7 C8 C9 C10 -133.5(5) . . . . ?
C7 C8 C9 C14 -5.7(7) . . . . ?
C8 C9 C10 C11 -176.8(3) . . . . ?
C8 C9 C10 C17 -51.7(4) . . . . ?
C8 C9 C14 O3 -60.8(4) . . . . ?
C8 C9 C14 C1 59.6(4) . . . . ?
C8 C9 C14 C13 -179.5(3) . . . . ?
C9 C10 C11 O2 -177.6(3) . . . . ?
C9 C10 C11 C12 -54.7(4) . . . . ?
C9 C10 C17 C18 -60.9(5) . . . . ?
C9 C10 C17 C19 119.0(5) . . . . ?
C10 C9 C14 O3 65.0(4) . . . . ?
C10 C9 C14 C1 -174.6(3) . . . . ?
C10 C9 C14 C13 -53.7(4) . . . . ?
C10 C11 C12 C13 59.2(5) . . . . ?
C11 C10 C17 C18 64.1(5) . . . . ?
C11 C10 C17 C19 -116.0(5) . . . . ?
C11 C12 C13 C14 -60.6(5) . . . . ?
C11 C12 C13 C20 172.6(4) . . . . ?
C12 C13 C14 O3 -59.4(4) . . . . ?
C12 C13 C14 C1 179.1(3) . . . . ?
C12 C13 C14 C9 57.1(4) . . . . ?
C14 C1 C2 C3 -126.7(5) . . . . ?
C14 C1 C5 C4 120.9(4) . . . . ?
C14 C1 C5 C6 -3.0(7) . . . . ?
C14 C9 C10 C11 52.5(4) . . . . ?
C14 C9 C10 C17 177.6(3) . . . . ?
C15 C3 C4 O1 -1.8(9) . . . . ?
C15 C3 C4 C5 176.6(5) . . . . ?
C16 C7 C8 C9 176.2(4) . . . . ?
C17 C10 C11 O2 56.4(4) . . . . ?
C17 C10 C11 C12 179.4(4) . . . . ?
C20 C13 C14 O3 65.6(5) . . . . ?
C20 C13 C14 C1 -55.9(5) . . . . ?
C20 C13 C14 C9 -177.9(4) . . . . ?
C21 Si16 O2 C11 144.2(4) . . . . ?
C21 Si16 C25 C26 113.0(4) . . . . ?
C21 Si16 C25 C30 -65.5(5) . . . . ?
C21 Si16 C31 C32 -70.4(5) . . . . ?
C21 Si16 C31 C36 105.2(4) . . . . ?
C25 Si16 O2 C11 23.6(4) . . . . ?
C25 Si16 C21 C22 52.8(4) . . . . ?
C25 Si16 C21 C23 170.2(4) . . . . ?
C25 Si16 C21 C24 -68.6(5) . . . . ?
C25 Si16 C31 C32 52.2(5) . . . . ?
C25 Si16 C31 C36 -132.1(4) . . . . ?
C25 C26 C27 C28 -0.1(8) . . . . ?
C26 C25 C30 C29 -2.0(8) . . . . ?
C26 C27 C28 C29 -0.7(8) . . . . ?
C27 C28 C29 C30 0.2(9) . . . . ?
C28 C29 C30 C25 1.2(9) . . . . ?
C30 C25 C26 C27 1.4(7) . . . . ?
C31 Si16 O2 C11 -99.4(4) . . . . ?
C31 Si16 C21 C22 175.1(4) . . . . ?
C31 Si16 C21 C23 -67.6(4) . . . . ?
C31 Si16 C21 C24 53.6(5) . . . . ?
C31 Si16 C25 C26 -8.1(5) . . . . ?
C31 Si16 C25 C30 173.5(4) . . . . ?
C31 C32 C33 C34 -2.1(11) . . . . ?
C32 C31 C36 C35 -0.6(7) . . . . ?
C32 C33 C34 C35 2.1(11) . . . . ?
C33 C34 C35 C36 -1.5(9) . . . . ?
C34 C35 C36 C31 0.7(8) . . . . ?
C36 C31 C32 C33 1.3(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
