# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_161207_s1_wy
_database_code_depnum_ccdc_archive 'CCDC 1901967'
loop_
_audit_author_name
_audit_author_address
'zhenlei song'
;Sichuan University
China
;
_audit_update_record             
;
2019-03-08 deposited with the CCDC.	2019-08-12 downloaded from the CCDC.
;
_audit_creation_date             2016-12-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.11.30 svn.r3356 for OlexSys, GUI svn.r5269)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C39 H39 N O4 Si2'
_chemical_formula_sum            'C39 H39 N O4 Si2'
_chemical_formula_weight         641.89
_chemical_melting_point          ?
_chemical_oxdiff_formula         c12h12n2si2
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'
N N 0.0061 0.0033 '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      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                   10.0776(8)
_cell_length_b                   11.8793(10)
_cell_length_c                   16.4275(9)
_cell_angle_alpha                95.541(5)
_cell_angle_beta                 104.025(6)
_cell_angle_gamma                112.585(8)
_cell_volume                     1721.7(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4762
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.6890
_cell_measurement_theta_min      3.3650
_shelx_estimated_absorpt_T_max   0.958
_shelx_estimated_absorpt_T_min   0.951
_exptl_absorpt_coefficient_mu    0.144
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.94699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0189
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14009
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.889
_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 0.9983
_diffrn_measured_fraction_theta_max 0.8365
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -87.00  -35.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.9669 -178.0000   30.0000 52

#__ type_ start__ end____ width___ exp.time_
  2 omega  -25.00   24.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.9669  -99.0000  150.0000 49

#__ type_ start__ end____ width___ exp.time_
  3 omega    2.00   82.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -       16.6856   57.0000  -30.0000 80

#__ type_ start__ end____ width___ exp.time_
  4 omega  -35.00   31.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -       16.6856  -57.0000   60.0000 66

#__ type_ start__ end____ width___ exp.time_
  5 omega   25.00   59.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -       16.6856   57.0000   30.0000 34

#__ type_ start__ end____ width___ exp.time_
  6 omega  -50.00   43.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -       16.6856  -77.0000 -150.0000 93
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0575032000
_diffrn_orient_matrix_UB_12      0.0452316000
_diffrn_orient_matrix_UB_13      -0.0122380000
_diffrn_orient_matrix_UB_21      -0.0349252000
_diffrn_orient_matrix_UB_22      -0.0331051000
_diffrn_orient_matrix_UB_23      -0.0433151000
_diffrn_orient_matrix_UB_31      -0.0433191000
_diffrn_orient_matrix_UB_32      0.0351610000
_diffrn_orient_matrix_UB_33      -0.0068992000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5350
_reflns_number_total             7043
_reflns_odcompleteness_completeness 99.83
_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 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_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         0.307
_refine_diff_density_min         -0.194
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         7043
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_gt           0.0451
_refine_ls_restrained_S_all      1.028
_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)+(0.0504P)²+0.3181P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1051
_refine_ls_wR_factor_ref         0.1174
_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 Ternary CH refined with riding coordinates:
 C10(H10)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C35(H35), C36(H36), C37(H37),
 C38(H38), C39(H39)
2.c Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C)
;
_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
Si1 Si 0.86951(5) 0.61926(5) 0.24825(3) 0.03594(14) Uani 1 1 d . . . . .
Si2 Si 0.66605(5) 0.34538(5) 0.11753(3) 0.03532(14) Uani 1 1 d . . . . .
O1 O 1.1115(2) 0.08700(18) 0.58561(11) 0.0887(6) Uani 1 1 d . . . . .
O2 O 1.2877(3) 0.0438(2) 0.55814(13) 0.1078(8) Uani 1 1 d . . . . .
O3 O 1.2124(2) 0.29219(17) 0.19750(10) 0.0716(5) Uani 1 1 d . . . . .
O4 O 1.10192(14) 0.39523(13) 0.25567(8) 0.0477(3) Uani 1 1 d . . . . .
N1 N 1.1963(3) 0.08843(19) 0.54346(12) 0.0711(6) Uani 1 1 d . . . . .
C1 C 1.1885(2) 0.14912(19) 0.46924(12) 0.0511(5) Uani 1 1 d . . . . .
C2 C 1.1122(3) 0.2232(2) 0.46165(14) 0.0604(6) Uani 1 1 d . . . . .
H2 H 1.0659 0.2352 0.5022 0.073 Uiso 1 1 calc R . . . .
C3 C 1.1059(2) 0.2795(2) 0.39207(13) 0.0552(5) Uani 1 1 d . . . . .
H3 H 1.0565 0.3316 0.3861 0.066 Uiso 1 1 calc R . . . .
C4 C 1.1722(2) 0.25935(17) 0.33158(11) 0.0407(4) Uani 1 1 d . . . . .
C5 C 1.2470(2) 0.1835(2) 0.34114(14) 0.0540(5) Uani 1 1 d . . . . .
H5 H 1.2917 0.1699 0.3002 0.065 Uiso 1 1 calc R . . . .
C6 C 1.2562(3) 0.1278(2) 0.41050(14) 0.0576(6) Uani 1 1 d . . . . .
H6 H 1.3072 0.0770 0.4173 0.069 Uiso 1 1 calc R . . . .
C7 C 1.1667(2) 0.31526(19) 0.25420(12) 0.0443(5) Uani 1 1 d . . . . .
C8 C 1.1032(2) 0.46255(19) 0.19001(12) 0.0449(5) Uani 1 1 d . . . . .
H8 H 1.1821 0.4839 0.1662 0.054 Uiso 1 1 calc R . . . .
C9 C 0.9932(2) 0.49503(17) 0.16255(11) 0.0395(4) Uani 1 1 d . . . . .
H9 H 1.0000 0.5408 0.1197 0.047 Uiso 1 1 calc R . . . .
C10 C 0.85638(19) 0.46655(16) 0.19272(11) 0.0358(4) Uani 1 1 d . . . . .
H10 H 0.8762 0.4257 0.2404 0.043 Uiso 1 1 calc R . . . .
C11 C 0.7073(2) 0.59321(18) 0.29251(11) 0.0413(4) Uani 1 1 d . . . . .
C12 C 0.6278(2) 0.6664(2) 0.28316(14) 0.0553(5) Uani 1 1 d . . . . .
H12 H 0.6506 0.7270 0.2506 0.066 Uiso 1 1 calc R . . . .
C13 C 0.5155(3) 0.6514(2) 0.32109(18) 0.0715(7) Uani 1 1 d . . . . .
H13 H 0.4631 0.7011 0.3133 0.086 Uiso 1 1 calc R . . . .
C14 C 0.4811(3) 0.5638(3) 0.37007(17) 0.0769(8) Uani 1 1 d . . . . .
H14 H 0.4078 0.5558 0.3971 0.092 Uiso 1 1 calc R . . . .
C15 C 0.5548(3) 0.4879(3) 0.37924(15) 0.0706(7) Uani 1 1 d . . . . .
H15 H 0.5306 0.4272 0.4117 0.085 Uiso 1 1 calc R . . . .
C16 C 0.6650(2) 0.5018(2) 0.34000(13) 0.0545(5) Uani 1 1 d . . . . .
H16 H 0.7126 0.4484 0.3455 0.065 Uiso 1 1 calc R . . . .
C17 C 0.8841(2) 0.73653(17) 0.17792(12) 0.0395(4) Uani 1 1 d . . . . .
C18 C 0.9160(2) 0.85863(19) 0.21349(13) 0.0522(5) Uani 1 1 d . . . . .
H18 H 0.9323 0.8814 0.2721 0.063 Uiso 1 1 calc R . . . .
C19 C 0.9239(3) 0.9469(2) 0.16338(16) 0.0620(6) Uani 1 1 d . . . . .
H19 H 0.9431 1.0275 0.1883 0.074 Uiso 1 1 calc R . . . .
C20 C 0.9037(2) 0.9163(2) 0.07758(16) 0.0594(6) Uani 1 1 d . . . . .
H20 H 0.9100 0.9761 0.0443 0.071 Uiso 1 1 calc R . . . .
C21 C 0.8741(2) 0.7977(2) 0.04082(13) 0.0537(5) Uani 1 1 d . . . . .
H21 H 0.8618 0.7770 -0.0174 0.064 Uiso 1 1 calc R . . . .
C22 C 0.8623(2) 0.70776(19) 0.09025(12) 0.0446(5) Uani 1 1 d . . . . .
H22 H 0.8393 0.6267 0.0642 0.054 Uiso 1 1 calc R . . . .
C23 C 1.0479(2) 0.68230(18) 0.34221(11) 0.0401(4) Uani 1 1 d . . . . .
C24 C 1.1794(2) 0.7809(2) 0.34447(14) 0.0582(6) Uani 1 1 d . . . . .
H24 H 1.1811 0.8207 0.2984 0.070 Uiso 1 1 calc R . . . .
C25 C 1.3092(2) 0.8220(2) 0.41363(16) 0.0689(7) Uani 1 1 d . . . . .
H25 H 1.3964 0.8883 0.4132 0.083 Uiso 1 1 calc R . . . .
C26 C 1.3101(3) 0.7662(3) 0.48193(16) 0.0710(7) Uani 1 1 d . . . . .
H26 H 1.3966 0.7952 0.5289 0.085 Uiso 1 1 calc R . . . .
C27 C 1.1839(3) 0.6681(3) 0.48088(17) 0.0926(10) Uani 1 1 d . . . . .
H27 H 1.1839 0.6284 0.5270 0.111 Uiso 1 1 calc R . . . .
C28 C 1.0549(3) 0.6263(3) 0.41174(16) 0.0735(8) Uani 1 1 d . . . . .
H28 H 0.9697 0.5580 0.4122 0.088 Uiso 1 1 calc R . . . .
C29 C 0.5258(2) 0.41353(19) 0.09259(13) 0.0494(5) Uani 1 1 d . . . . .
H29A H 0.4876 0.4187 0.1403 0.074 Uiso 1 1 calc GR . . . .
H29B H 0.4440 0.3614 0.0424 0.074 Uiso 1 1 calc GR . . . .
H29C H 0.5736 0.4955 0.0822 0.074 Uiso 1 1 calc GR . . . .
C30 C 0.6748(2) 0.26856(19) 0.01290(12) 0.0475(5) Uani 1 1 d . . . . .
C31 C 0.5142(3) 0.1721(2) -0.03833(14) 0.0674(7) Uani 1 1 d . . . . .
H31A H 0.4759 0.1136 -0.0041 0.101 Uiso 1 1 calc GR . . . .
H31B H 0.5165 0.1285 -0.0899 0.101 Uiso 1 1 calc GR . . . .
H31C H 0.4498 0.2140 -0.0529 0.101 Uiso 1 1 calc GR . . . .
C32 C 0.7762(3) 0.1994(2) 0.02945(16) 0.0695(7) Uani 1 1 d . . . . .
H32A H 0.8776 0.2579 0.0606 0.104 Uiso 1 1 calc GR . . . .
H32B H 0.7746 0.1585 -0.0244 0.104 Uiso 1 1 calc GR . . . .
H32C H 0.7399 0.1384 0.0625 0.104 Uiso 1 1 calc GR . . . .
C33 C 0.7287(3) 0.3633(2) -0.04275(14) 0.0729(7) Uani 1 1 d . . . . .
H33A H 0.6648 0.4063 -0.0530 0.109 Uiso 1 1 calc GR . . . .
H33B H 0.7244 0.3202 -0.0966 0.109 Uiso 1 1 calc GR . . . .
H33C H 0.8307 0.4224 -0.0134 0.109 Uiso 1 1 calc GR . . . .
C34 C 0.5987(2) 0.21725(17) 0.17698(11) 0.0397(4) Uani 1 1 d . . . . .
C35 C 0.4455(2) 0.1478(2) 0.16459(14) 0.0516(5) Uani 1 1 d . . . . .
H35 H 0.3756 0.1701 0.1304 0.062 Uiso 1 1 calc R . . . .
C36 C 0.3950(3) 0.0460(2) 0.20204(17) 0.0682(7) Uani 1 1 d . . . . .
H36 H 0.2920 0.0002 0.1917 0.082 Uiso 1 1 calc R . . . .
C37 C 0.4954(4) 0.0126(2) 0.25404(17) 0.0787(8) Uani 1 1 d . . . . .
H37 H 0.4611 -0.0551 0.2797 0.094 Uiso 1 1 calc R . . . .
C38 C 0.6463(3) 0.0790(2) 0.26810(16) 0.0773(8) Uani 1 1 d . . . . .
H38 H 0.7152 0.0568 0.3036 0.093 Uiso 1 1 calc R . . . .
C39 C 0.6971(3) 0.1794(2) 0.22964(14) 0.0585(6) Uani 1 1 d . . . . .
H39 H 0.8002 0.2229 0.2393 0.070 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 C10 1.8916(19) . ?
Si1 C11 1.8781(19) . ?
Si1 C17 1.8797(18) . ?
Si1 C23 1.8899(18) . ?
Si2 C10 1.9142(18) . ?
Si2 C29 1.8663(19) . ?
Si2 C30 1.905(2) . ?
Si2 C34 1.8831(18) . ?
O1 N1 1.220(3) . ?
O2 N1 1.217(3) . ?
O3 C7 1.188(2) . ?
O4 C7 1.345(2) . ?
O4 C8 1.403(2) . ?
N1 C1 1.476(3) . ?
C1 C2 1.369(3) . ?
C1 C6 1.365(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.380(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.374(3) . ?
C4 C5 1.377(3) . ?
C4 C7 1.489(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.374(3) . ?
C6 H6 0.9300 . ?
C8 H8 0.9300 . ?
C8 C9 1.304(2) . ?
C9 H9 0.9300 . ?
C9 C10 1.505(2) . ?
C10 H10 0.9800 . ?
C11 C12 1.386(3) . ?
C11 C16 1.392(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.382(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.368(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.369(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.380(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.391(3) . ?
C17 C22 1.390(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.385(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.366(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.366(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.390(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.381(3) . ?
C23 C28 1.377(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.386(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.357(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.350(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.381(3) . ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C31 1.540(3) . ?
C30 C32 1.532(3) . ?
C30 C33 1.538(3) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.393(3) . ?
C34 C39 1.391(3) . ?
C35 H35 0.9300 . ?
C35 C36 1.386(3) . ?
C36 H36 0.9300 . ?
C36 C37 1.367(4) . ?
C37 H37 0.9300 . ?
C37 C38 1.364(4) . ?
C38 H38 0.9300 . ?
C38 C39 1.385(3) . ?
C39 H39 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
C11 Si1 C10 111.09(8) . . ?
C11 Si1 C17 110.48(8) . . ?
C11 Si1 C23 107.64(8) . . ?
C17 Si1 C10 113.25(8) . . ?
C17 Si1 C23 108.98(8) . . ?
C23 Si1 C10 105.10(8) . . ?
C29 Si2 C10 111.22(9) . . ?
C29 Si2 C30 109.11(9) . . ?
C29 Si2 C34 109.23(9) . . ?
C30 Si2 C10 114.69(8) . . ?
C34 Si2 C10 106.03(8) . . ?
C34 Si2 C30 106.29(9) . . ?
C7 O4 C8 116.69(15) . . ?
O1 N1 C1 117.9(2) . . ?
O2 N1 O1 124.8(2) . . ?
O2 N1 C1 117.3(2) . . ?
C2 C1 N1 118.6(2) . . ?
C6 C1 N1 118.6(2) . . ?
C6 C1 C2 122.77(19) . . ?
C1 C2 H2 121.0 . . ?
C1 C2 C3 118.1(2) . . ?
C3 C2 H2 121.0 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(2) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 C5 119.66(18) . . ?
C3 C4 C7 123.14(17) . . ?
C5 C4 C7 117.20(18) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.7(2) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C5 118.2(2) . . ?
C1 C6 H6 120.9 . . ?
C5 C6 H6 120.9 . . ?
O3 C7 O4 123.63(18) . . ?
O3 C7 C4 124.77(18) . . ?
O4 C7 C4 111.60(17) . . ?
O4 C8 H8 120.2 . . ?
C9 C8 O4 119.68(17) . . ?
C9 C8 H8 120.2 . . ?
C8 C9 H9 116.5 . . ?
C8 C9 C10 127.08(16) . . ?
C10 C9 H9 116.5 . . ?
Si1 C10 Si2 119.36(9) . . ?
Si1 C10 H10 103.0 . . ?
Si2 C10 H10 103.0 . . ?
C9 C10 Si1 107.70(12) . . ?
C9 C10 Si2 118.03(13) . . ?
C9 C10 H10 103.0 . . ?
C12 C11 Si1 122.37(16) . . ?
C12 C11 C16 116.43(19) . . ?
C16 C11 Si1 121.14(15) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 C11 121.6(2) . . ?
C13 C12 H12 119.2 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.2(2) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.9(2) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 120.2 . . ?
C14 C15 C16 119.6(2) . . ?
C16 C15 H15 120.2 . . ?
C11 C16 H16 118.9 . . ?
C15 C16 C11 122.2(2) . . ?
C15 C16 H16 118.9 . . ?
C18 C17 Si1 119.59(14) . . ?
C22 C17 Si1 123.38(15) . . ?
C22 C17 C18 117.02(17) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 C17 121.3(2) . . ?
C19 C18 H18 119.4 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.4(2) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 119.80(19) . . ?
C21 C20 H20 120.1 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.2(2) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 H22 119.3 . . ?
C21 C22 C17 121.3(2) . . ?
C21 C22 H22 119.3 . . ?
C24 C23 Si1 123.46(14) . . ?
C28 C23 Si1 120.58(15) . . ?
C28 C23 C24 115.88(18) . . ?
C23 C24 H24 119.2 . . ?
C23 C24 C25 121.7(2) . . ?
C25 C24 H24 119.2 . . ?
C24 C25 H25 119.7 . . ?
C26 C25 C24 120.5(2) . . ?
C26 C25 H25 119.7 . . ?
C25 C26 H26 120.4 . . ?
C27 C26 C25 119.2(2) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.4(2) . . ?
C28 C27 H27 119.8 . . ?
C23 C28 C27 122.3(2) . . ?
C23 C28 H28 118.8 . . ?
C27 C28 H28 118.8 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 Si2 107.86(14) . . ?
C32 C30 Si2 111.43(14) . . ?
C32 C30 C31 107.89(19) . . ?
C32 C30 C33 109.84(19) . . ?
C33 C30 Si2 111.99(15) . . ?
C33 C30 C31 107.65(18) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 Si2 121.43(15) . . ?
C39 C34 Si2 122.19(15) . . ?
C39 C34 C35 116.16(18) . . ?
C34 C35 H35 119.2 . . ?
C36 C35 C34 121.6(2) . . ?
C36 C35 H35 119.2 . . ?
C35 C36 H36 119.8 . . ?
C37 C36 C35 120.5(2) . . ?
C37 C36 H36 119.8 . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 119.6(2) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 120.0 . . ?
C37 C38 C39 120.1(2) . . ?
C39 C38 H38 120.0 . . ?
C34 C39 H39 118.9 . . ?
C38 C39 C34 122.1(2) . . ?
C38 C39 H39 118.9 . . ?

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 C11 C12 C13 -175.54(17) . . . . ?
Si1 C11 C16 C15 174.42(17) . . . . ?
Si1 C17 C18 C19 -178.34(16) . . . . ?
Si1 C17 C22 C21 179.92(14) . . . . ?
Si1 C23 C24 C25 -178.09(19) . . . . ?
Si1 C23 C28 C27 178.7(2) . . . . ?
Si2 C34 C35 C36 173.92(17) . . . . ?
Si2 C34 C39 C38 -174.97(19) . . . . ?
O1 N1 C1 C2 13.8(3) . . . . ?
O1 N1 C1 C6 -165.5(2) . . . . ?
O2 N1 C1 C2 -166.0(2) . . . . ?
O2 N1 C1 C6 14.8(3) . . . . ?
O4 C8 C9 C10 -1.1(3) . . . . ?
N1 C1 C2 C3 179.90(19) . . . . ?
N1 C1 C6 C5 179.29(19) . . . . ?
C1 C2 C3 C4 1.2(3) . . . . ?
C2 C1 C6 C5 0.1(3) . . . . ?
C2 C3 C4 C5 -0.8(3) . . . . ?
C2 C3 C4 C7 178.7(2) . . . . ?
C3 C4 C5 C6 0.0(3) . . . . ?
C3 C4 C7 O3 -173.9(2) . . . . ?
C3 C4 C7 O4 5.6(3) . . . . ?
C4 C5 C6 C1 0.4(3) . . . . ?
C5 C4 C7 O3 5.7(3) . . . . ?
C5 C4 C7 O4 -174.85(17) . . . . ?
C6 C1 C2 C3 -0.9(3) . . . . ?
C7 O4 C8 C9 148.91(19) . . . . ?
C7 C4 C5 C6 -179.58(19) . . . . ?
C8 O4 C7 O3 -6.3(3) . . . . ?
C8 O4 C7 C4 174.20(15) . . . . ?
C8 C9 C10 Si1 113.5(2) . . . . ?
C8 C9 C10 Si2 -107.7(2) . . . . ?
C10 Si1 C11 C12 -135.42(16) . . . . ?
C10 Si1 C11 C16 47.42(18) . . . . ?
C10 Si1 C17 C18 -170.90(15) . . . . ?
C10 Si1 C17 C22 10.13(19) . . . . ?
C10 Si1 C23 C24 105.75(19) . . . . ?
C10 Si1 C23 C28 -70.9(2) . . . . ?
C10 Si2 C34 C35 148.82(16) . . . . ?
C10 Si2 C34 C39 -36.90(19) . . . . ?
C11 Si1 C10 Si2 44.13(12) . . . . ?
C11 Si1 C10 C9 -177.67(11) . . . . ?
C11 Si1 C17 C18 63.75(17) . . . . ?
C11 Si1 C17 C22 -115.22(16) . . . . ?
C11 Si1 C23 C24 -135.77(19) . . . . ?
C11 Si1 C23 C28 47.6(2) . . . . ?
C11 C12 C13 C14 0.7(4) . . . . ?
C12 C11 C16 C15 -2.9(3) . . . . ?
C12 C13 C14 C15 -2.2(4) . . . . ?
C13 C14 C15 C16 1.0(4) . . . . ?
C14 C15 C16 C11 1.6(4) . . . . ?
C16 C11 C12 C13 1.8(3) . . . . ?
C17 Si1 C10 Si2 -80.89(11) . . . . ?
C17 Si1 C10 C9 57.31(13) . . . . ?
C17 Si1 C11 C12 -8.86(19) . . . . ?
C17 Si1 C11 C16 173.98(15) . . . . ?
C17 Si1 C23 C24 -15.9(2) . . . . ?
C17 Si1 C23 C28 167.45(19) . . . . ?
C17 C18 C19 C20 -1.5(3) . . . . ?
C18 C17 C22 C21 0.9(3) . . . . ?
C18 C19 C20 C21 0.6(3) . . . . ?
C19 C20 C21 C22 1.0(3) . . . . ?
C20 C21 C22 C17 -1.8(3) . . . . ?
C22 C17 C18 C19 0.7(3) . . . . ?
C23 Si1 C10 Si2 160.26(10) . . . . ?
C23 Si1 C10 C9 -61.54(12) . . . . ?
C23 Si1 C11 C12 110.03(17) . . . . ?
C23 Si1 C11 C16 -67.13(18) . . . . ?
C23 Si1 C17 C18 -54.32(18) . . . . ?
C23 Si1 C17 C22 126.71(16) . . . . ?
C23 C24 C25 C26 -0.4(4) . . . . ?
C24 C23 C28 C27 1.9(4) . . . . ?
C24 C25 C26 C27 1.6(4) . . . . ?
C25 C26 C27 C28 -1.1(5) . . . . ?
C26 C27 C28 C23 -0.7(5) . . . . ?
C28 C23 C24 C25 -1.3(3) . . . . ?
C29 Si2 C34 C35 28.88(19) . . . . ?
C29 Si2 C34 C39 -156.83(17) . . . . ?
C30 Si2 C34 C35 -88.71(18) . . . . ?
C30 Si2 C34 C39 85.57(19) . . . . ?
C34 C35 C36 C37 1.3(4) . . . . ?
C35 C34 C39 C38 -0.4(3) . . . . ?
C35 C36 C37 C38 -0.9(4) . . . . ?
C36 C37 C38 C39 -0.2(4) . . . . ?
C37 C38 C39 C34 0.9(4) . . . . ?
C39 C34 C35 C36 -0.7(3) . . . . ?

_shelx_SHELXL_version_number     2014/7

_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_s
_database_code_depnum_ccdc_archive 'CCDC 1901968'
loop_
_audit_author_name
_audit_author_address
'Zhenlei Song' 'Sichuan University'
_audit_update_record             
;
2019-03-08 deposited with the CCDC.	2019-08-12 downloaded from the CCDC.
;
_audit_creation_date             2017-04-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H36 O Si2'
_chemical_formula_sum            'C32 H36 O Si2'
_chemical_formula_weight         492.79
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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      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, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.5099(2)
_cell_length_b                   14.8311(3)
_cell_length_c                   18.2540(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2845.31(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17374
_cell_measurement_temperature    293
_cell_measurement_theta_max      71.7840
_cell_measurement_theta_min      3.8330
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.286
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.150
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0287
_diffrn_reflns_av_unetI/netI     0.0149
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33976
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         71.851
_diffrn_reflns_theta_min         4.845
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0356
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   18.00   91.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849 -125.0000  -60.0000 73

#__ type_ start__ end____ width___ exp.time_
  2 omega   18.00   91.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849 -125.0000 -150.0000 73

#__ type_ start__ end____ width___ exp.time_
  3 omega    8.00  109.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849   19.0000 -120.0000 101

#__ type_ start__ end____ width___ exp.time_
  4 omega  -31.00   57.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849  -37.0000  150.0000 88

#__ type_ start__ end____ width___ exp.time_
  5 omega   18.00   91.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849 -125.0000  120.0000 73

#__ type_ start__ end____ width___ exp.time_
  6 omega   21.00  105.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849   57.0000  -30.0000 84

#__ type_ start__ end____ width___ exp.time_
  7 omega  -29.00   55.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849  -57.0000 -150.0000 84

#__ type_ start__ end____ width___ exp.time_
  8 omega  -30.00   65.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849  -77.0000   90.0000 95

#__ type_ start__ end____ width___ exp.time_
  9 omega   37.00  146.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -15.0000  -30.0000 109

#__ type_ start__ end____ width___ exp.time_
 10 omega   39.00  109.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000 -150.0000 70

#__ type_ start__ end____ width___ exp.time_
 11 omega   40.00  135.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000   30.0000 95

#__ type_ start__ end____ width___ exp.time_
 12 omega   38.00   90.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  150.0000 52

#__ type_ start__ end____ width___ exp.time_
 13 omega   38.00   90.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  -60.0000 52

#__ type_ start__ end____ width___ exp.time_
 14 omega   40.00  135.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000  -90.0000 95

#__ type_ start__ end____ width___ exp.time_
 15 omega  100.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  111.0000   90.0000 78

#__ type_ start__ end____ width___ exp.time_
 16 omega   40.00   98.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000 -150.0000 58

#__ type_ start__ end____ width___ exp.time_
 17 omega   81.00  176.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  150.0000 95

#__ type_ start__ end____ width___ exp.time_
 18 omega   11.00  105.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849   77.0000   30.0000 94

#__ type_ start__ end____ width___ exp.time_
 19 omega  -31.00   57.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849  -37.0000  -60.0000 88

#__ type_ start__ end____ width___ exp.time_
 20 omega   -3.00   23.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849  102.0000 -142.7209 26

#__ type_ start__ end____ width___ exp.time_
 21 omega   11.00  105.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849   77.0000  -60.0000 94

#__ type_ start__ end____ width___ exp.time_
 22 omega   -1.00   26.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849   98.0000  150.7571 27

#__ type_ start__ end____ width___ exp.time_
 23 omega   11.00  105.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849   77.0000   90.0000 94

#__ type_ start__ end____ width___ exp.time_
 24 omega   21.00  105.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849   57.0000 -180.0000 84

#__ type_ start__ end____ width___ exp.time_
 25 omega   21.00  105.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       37.7849   57.0000  -90.0000 84

#__ type_ start__ end____ width___ exp.time_
 26 omega   91.00  176.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000  120.0000 85

#__ type_ start__ end____ width___ exp.time_
 27 omega   91.00  176.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000    0.0000 85

#__ type_ start__ end____ width___ exp.time_
 28 omega   81.00  176.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  -90.0000 95

#__ type_ start__ end____ width___ exp.time_
 29 omega   87.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   30.0000 -120.0000 91

#__ type_ start__ end____ width___ exp.time_
 30 omega   70.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   15.0000   90.0000 108

#__ type_ start__ end____ width___ exp.time_
 31 omega   38.00   84.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000  120.0000 46

#__ type_ start__ end____ width___ exp.time_
 32 omega   91.00  176.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000  -30.0000 85
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.1110214000
_diffrn_orient_matrix_UB_12      -0.0091141000
_diffrn_orient_matrix_UB_13      0.0546058000
_diffrn_orient_matrix_UB_21      -0.0828598000
_diffrn_orient_matrix_UB_22      0.0423802000
_diffrn_orient_matrix_UB_23      0.0605121000
_diffrn_orient_matrix_UB_31      -0.0479409000
_diffrn_orient_matrix_UB_32      -0.0943801000
_diffrn_orient_matrix_UB_33      0.0219075000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'Enhance (Cu) X-ray Source'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.770
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                5350
_reflns_number_total             5527
_reflns_odcompleteness_completeness 99.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.213
_refine_diff_density_min         -0.207
_refine_diff_density_rms         0.049
_refine_ls_abs_structure_details 
;
 Flack x determined using 2267 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.014(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         5527
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0352
_refine_ls_restrained_S_all      1.059
_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)+(0.0727P)²+0.1820P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.1009
_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
2.a Ternary CH refined with riding coordinates:
 C00H(H00H)
2.b Secondary CH2 refined with riding coordinates:
 C00L(H00F,H00L)
2.c Aromatic/amide H refined with riding coordinates:
 C007(H007), C008(H008), C009(H009), C00A(H00A), C00B(H00B), C00C(H00C),
 C00D(H00D), C00E(H00E), C00G(H00G), C00I(H00I), C00J(H00J), C00K(H00K),
 C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P), C00Q(H00Q), C00S(H00U),
 C00T(H00V), C00U(H00W), C00V(H00X)
2.d Idealised Me refined as rotating group:
 C00R(H00R,H00S,H00T), C00X(H00Y,H,HA), C00Y(H00Z,HB,HC), C00Z(H00,HD,HE)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Si01 Si 0.80048(5) 0.33485(4) 0.31042(3) 0.04076(15) Uani 1 1 d . . . . .
Si02 Si 0.51972(6) 0.41929(4) 0.29846(4) 0.05018(17) Uani 1 1 d . . . . .
C003 C 0.8769(2) 0.43792(15) 0.35212(13) 0.0459(5) Uani 1 1 d . . . . .
C004 C 0.8176(2) 0.33052(14) 0.20794(11) 0.0436(4) Uani 1 1 d . . . . .
C005 C 0.8954(2) 0.23555(15) 0.34557(11) 0.0462(5) Uani 1 1 d . . . . .
O006 O 0.4714(4) 0.1810(2) 0.39565(16) 0.1182(12) Uani 1 1 d . . . . .
C007 C 1.0255(3) 0.24450(18) 0.35567(14) 0.0569(6) Uani 1 1 d . . . . .
H007 H 1.0629 0.3008 0.3496 0.068 Uiso 1 1 calc R . . . .
C008 C 0.9449(3) 0.34589(18) 0.09811(14) 0.0586(6) Uani 1 1 d . . . . .
H008 H 1.0224 0.3602 0.0764 0.070 Uiso 1 1 calc R . . . .
C009 C 0.8833(3) 0.44445(19) 0.42795(15) 0.0619(6) Uani 1 1 d . . . . .
H009 H 0.8520 0.3974 0.4564 0.074 Uiso 1 1 calc R . . . .
C00A C 0.9324(2) 0.34929(16) 0.17370(13) 0.0514(5) Uani 1 1 d . . . . .
H00A H 1.0027 0.3645 0.2021 0.062 Uiso 1 1 calc R . . . .
C00B C 0.9273(2) 0.50868(16) 0.31198(16) 0.0555(5) Uani 1 1 d . . . . .
H00B H 0.9247 0.5064 0.2611 0.067 Uiso 1 1 calc R . . . .
C00C C 0.8442(3) 0.15010(19) 0.35491(17) 0.0627(6) Uani 1 1 d . . . . .
H00C H 0.7574 0.1414 0.3480 0.075 Uiso 1 1 calc R . . . .
C00D C 0.7291(3) 0.3005(2) 0.08772(14) 0.0669(7) Uani 1 1 d . . . . .
H00D H 0.6599 0.2842 0.0588 0.080 Uiso 1 1 calc R . . . .
C00E C 0.7167(3) 0.30351(18) 0.16332(13) 0.0556(6) Uani 1 1 d . . . . .
H00E H 0.6397 0.2872 0.1847 0.067 Uiso 1 1 calc R . . . .
C00F C 0.4156(2) 0.36625(18) 0.22584(13) 0.0532(5) Uani 1 1 d . . . . .
C00G C 0.8436(3) 0.3216(2) 0.05535(13) 0.0635(7) Uani 1 1 d . . . . .
H00G H 0.8521 0.3194 0.0047 0.076 Uiso 1 1 calc R . . . .
C00H C 0.6272(2) 0.32520(16) 0.33690(11) 0.0451(5) Uani 1 1 d . . . . .
H00H H 0.5980 0.2705 0.3120 0.054 Uiso 1 1 calc R . . . .
C00I C 0.3556(3) 0.2843(2) 0.23802(18) 0.0670(7) Uani 1 1 d . . . . .
H00I H 0.3680 0.2555 0.2827 0.080 Uiso 1 1 calc R . . . .
C00J C 1.0482(3) 0.0888(2) 0.38465(16) 0.0681(7) Uani 1 1 d . . . . .
H00J H 1.0985 0.0400 0.3984 0.082 Uiso 1 1 calc R . . . .
C00K C 1.1013(3) 0.1719(2) 0.37455(16) 0.0654(7) Uani 1 1 d . . . . .
H00K H 1.1885 0.1796 0.3804 0.078 Uiso 1 1 calc R . . . .
C00L C 0.6152(3) 0.3026(2) 0.41920(13) 0.0617(7) Uani 1 1 d . . . . .
H00F H 0.6987 0.2863 0.4376 0.074 Uiso 1 1 calc R . . . .
H00L H 0.5882 0.3565 0.4450 0.074 Uiso 1 1 calc R . . . .
C00M C 0.9849(3) 0.5886(2) 0.4209(2) 0.0777(9) Uani 1 1 d . . . . .
H00M H 1.0203 0.6387 0.4437 0.093 Uiso 1 1 calc R . . . .
C00N C 0.9816(3) 0.58324(18) 0.3462(2) 0.0693(7) Uani 1 1 d . . . . .
H00N H 1.0159 0.6296 0.3181 0.083 Uiso 1 1 calc R . . . .
C00O C 0.9353(3) 0.5194(2) 0.46225(18) 0.0780(9) Uani 1 1 d . . . . .
H00O H 0.9367 0.5228 0.5131 0.094 Uiso 1 1 calc R . . . .
C00P C 0.9194(4) 0.07785(19) 0.37425(19) 0.0769(8) Uani 1 1 d . . . . .
H00P H 0.8829 0.0212 0.3803 0.092 Uiso 1 1 calc R . . . .
C00Q C 0.3961(3) 0.4069(3) 0.15876(16) 0.0725(8) Uani 1 1 d . . . . .
H00Q H 0.4338 0.4623 0.1487 0.087 Uiso 1 1 calc R . . . .
C00R C 0.6146(3) 0.51017(19) 0.2527(2) 0.0738(8) Uani 1 1 d . . . . .
H00R H 0.6673 0.4840 0.2153 0.111 Uiso 1 1 calc GR . . . .
H00S H 0.6672 0.5398 0.2883 0.111 Uiso 1 1 calc GR . . . .
H00T H 0.5579 0.5533 0.2309 0.111 Uiso 1 1 calc GR . . . .
C00S C 0.2783(3) 0.2439(2) 0.1864(2) 0.0826(10) Uani 1 1 d . . . . .
H00U H 0.2384 0.1894 0.1968 0.099 Uiso 1 1 calc R . . . .
C00T C 0.5246(4) 0.2281(3) 0.43711(18) 0.1016(14) Uani 1 1 d . . . . .
H00V H 0.5087 0.2180 0.4866 0.122 Uiso 1 1 calc R . . . .
C00U C 0.3190(4) 0.3650(4) 0.10521(18) 0.0929(13) Uani 1 1 d . . . . .
H00W H 0.3078 0.3920 0.0597 0.111 Uiso 1 1 calc R . . . .
C00V C 0.2608(3) 0.2843(3) 0.1204(2) 0.0875(11) Uani 1 1 d . . . . .
H00X H 0.2091 0.2572 0.0854 0.105 Uiso 1 1 calc R . . . .
C00W C 0.4096(3) 0.4780(2) 0.36671(19) 0.0790(9) Uani 1 1 d . . . . .
C00X C 0.4846(5) 0.5355(3) 0.4218(2) 0.1068(14) Uani 1 1 d . . . . .
H00Y H 0.5429 0.4977 0.4482 0.160 Uiso 1 1 calc GR . . . .
H H 0.4266 0.5633 0.4556 0.160 Uiso 1 1 calc GR . . . .
HA H 0.5311 0.5813 0.3961 0.160 Uiso 1 1 calc GR . . . .
C00Y C 0.3244(4) 0.4140(4) 0.4094(3) 0.1106(16) Uani 1 1 d . . . . .
H00Z H 0.2854 0.3720 0.3762 0.166 Uiso 1 1 calc GR . . . .
HB H 0.2596 0.4478 0.4342 0.166 Uiso 1 1 calc GR . . . .
HC H 0.3745 0.3816 0.4446 0.166 Uiso 1 1 calc GR . . . .
C00Z C 0.3237(4) 0.5424(4) 0.3219(3) 0.1180(17) Uani 1 1 d . . . . .
H00 H 0.3755 0.5783 0.2899 0.177 Uiso 1 1 calc GR . . . .
HD H 0.2777 0.5811 0.3547 0.177 Uiso 1 1 calc GR . . . .
HE H 0.2646 0.5077 0.2934 0.177 Uiso 1 1 calc GR . . . .


_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
Si01 C003 1.887(2) . ?
Si01 C004 1.880(2) . ?
Si01 C005 1.891(2) . ?
Si01 C00H 1.889(2) . ?
Si02 C00F 1.891(2) . ?
Si02 C00H 1.928(2) . ?
Si02 C00R 1.873(3) . ?
Si02 C00W 1.911(3) . ?
C003 C009 1.389(3) . ?
C003 C00B 1.385(3) . ?
C004 C00A 1.387(3) . ?
C004 C00E 1.395(3) . ?
C005 C007 1.386(4) . ?
C005 C00C 1.387(4) . ?
O006 C00T 1.172(5) . ?
C007 H007 0.9300 . ?
C007 C00K 1.383(4) . ?
C008 H008 0.9300 . ?
C008 C00A 1.387(3) . ?
C008 C00G 1.368(4) . ?
C009 H009 0.9300 . ?
C009 C00O 1.388(4) . ?
C00A H00A 0.9300 . ?
C00B H00B 0.9300 . ?
C00B C00N 1.393(4) . ?
C00C H00C 0.9300 . ?
C00C C00P 1.378(4) . ?
C00D H00D 0.9300 . ?
C00D C00E 1.387(4) . ?
C00D C00G 1.377(4) . ?
C00E H00E 0.9300 . ?
C00F C00I 1.387(4) . ?
C00F C00Q 1.380(4) . ?
C00G H00G 0.9300 . ?
C00H H00H 0.9800 . ?
C00H C00L 1.545(3) . ?
C00I H00I 0.9300 . ?
C00I C00S 1.382(4) . ?
C00J H00J 0.9300 . ?
C00J C00K 1.366(5) . ?
C00J C00P 1.376(5) . ?
C00K H00K 0.9300 . ?
C00L H00F 0.9700 . ?
C00L H00L 0.9700 . ?
C00L C00T 1.495(4) . ?
C00M H00M 0.9300 . ?
C00M C00N 1.366(5) . ?
C00M C00O 1.377(5) . ?
C00N H00N 0.9300 . ?
C00O H00O 0.9300 . ?
C00P H00P 0.9300 . ?
C00Q H00Q 0.9300 . ?
C00Q C00U 1.414(5) . ?
C00R H00R 0.9600 . ?
C00R H00S 0.9600 . ?
C00R H00T 0.9600 . ?
C00S H00U 0.9300 . ?
C00S C00V 1.358(6) . ?
C00T H00V 0.9300 . ?
C00U H00W 0.9300 . ?
C00U C00V 1.373(6) . ?
C00V H00X 0.9300 . ?
C00W C00X 1.536(4) . ?
C00W C00Y 1.519(6) . ?
C00W C00Z 1.547(6) . ?
C00X H00Y 0.9600 . ?
C00X H 0.9600 . ?
C00X HA 0.9600 . ?
C00Y H00Z 0.9600 . ?
C00Y HB 0.9600 . ?
C00Y HC 0.9600 . ?
C00Z H00 0.9600 . ?
C00Z HD 0.9600 . ?
C00Z HE 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
C003 Si01 C005 105.63(10) . . ?
C003 Si01 C00H 111.61(10) . . ?
C004 Si01 C003 112.85(10) . . ?
C004 Si01 C005 105.11(9) . . ?
C004 Si01 C00H 110.13(9) . . ?
C00H Si01 C005 111.25(11) . . ?
C00F Si02 C00H 107.06(10) . . ?
C00F Si02 C00W 107.21(12) . . ?
C00R Si02 C00F 107.14(14) . . ?
C00R Si02 C00H 111.79(12) . . ?
C00R Si02 C00W 106.59(17) . . ?
C00W Si02 C00H 116.60(14) . . ?
C009 C003 Si01 118.63(19) . . ?
C00B C003 Si01 124.27(19) . . ?
C00B C003 C009 117.1(2) . . ?
C00A C004 Si01 121.63(17) . . ?
C00A C004 C00E 117.1(2) . . ?
C00E C004 Si01 121.19(17) . . ?
C007 C005 Si01 119.41(18) . . ?
C007 C005 C00C 117.0(2) . . ?
C00C C005 Si01 123.3(2) . . ?
C005 C007 H007 119.1 . . ?
C00K C007 C005 121.8(3) . . ?
C00K C007 H007 119.1 . . ?
C00A C008 H008 119.9 . . ?
C00G C008 H008 119.9 . . ?
C00G C008 C00A 120.2(2) . . ?
C003 C009 H009 119.2 . . ?
C00O C009 C003 121.6(3) . . ?
C00O C009 H009 119.2 . . ?
C004 C00A H00A 119.2 . . ?
C008 C00A C004 121.5(2) . . ?
C008 C00A H00A 119.2 . . ?
C003 C00B H00B 119.3 . . ?
C003 C00B C00N 121.4(3) . . ?
C00N C00B H00B 119.3 . . ?
C005 C00C H00C 119.4 . . ?
C00P C00C C005 121.3(3) . . ?
C00P C00C H00C 119.4 . . ?
C00E C00D H00D 119.9 . . ?
C00G C00D H00D 119.9 . . ?
C00G C00D C00E 120.1(3) . . ?
C004 C00E H00E 119.4 . . ?
C00D C00E C004 121.2(3) . . ?
C00D C00E H00E 119.4 . . ?
C00I C00F Si02 121.0(2) . . ?
C00Q C00F Si02 121.7(2) . . ?
C00Q C00F C00I 117.2(3) . . ?
C008 C00G C00D 119.7(2) . . ?
C008 C00G H00G 120.2 . . ?
C00D C00G H00G 120.2 . . ?
Si01 C00H Si02 114.63(11) . . ?
Si01 C00H H00H 104.3 . . ?
Si02 C00H H00H 104.3 . . ?
C00L C00H Si01 110.14(16) . . ?
C00L C00H Si02 117.60(18) . . ?
C00L C00H H00H 104.3 . . ?
C00F C00I H00I 118.7 . . ?
C00S C00I C00F 122.6(3) . . ?
C00S C00I H00I 118.7 . . ?
C00K C00J H00J 120.3 . . ?
C00K C00J C00P 119.3(3) . . ?
C00P C00J H00J 120.3 . . ?
C007 C00K H00K 120.0 . . ?
C00J C00K C007 120.1(3) . . ?
C00J C00K H00K 120.0 . . ?
C00H C00L H00F 108.5 . . ?
C00H C00L H00L 108.5 . . ?
H00F C00L H00L 107.5 . . ?
C00T C00L C00H 115.2(2) . . ?
C00T C00L H00F 108.5 . . ?
C00T C00L H00L 108.5 . . ?
C00N C00M H00M 120.2 . . ?
C00N C00M C00O 119.6(3) . . ?
C00O C00M H00M 120.2 . . ?
C00B C00N H00N 119.9 . . ?
C00M C00N C00B 120.3(3) . . ?
C00M C00N H00N 119.9 . . ?
C009 C00O H00O 120.0 . . ?
C00M C00O C009 119.9(3) . . ?
C00M C00O H00O 120.0 . . ?
C00C C00P H00P 119.7 . . ?
C00J C00P C00C 120.6(3) . . ?
C00J C00P H00P 119.7 . . ?
C00F C00Q H00Q 119.8 . . ?
C00F C00Q C00U 120.4(3) . . ?
C00U C00Q H00Q 119.8 . . ?
Si02 C00R H00R 109.5 . . ?
Si02 C00R H00S 109.5 . . ?
Si02 C00R H00T 109.5 . . ?
H00R C00R H00S 109.5 . . ?
H00R C00R H00T 109.5 . . ?
H00S C00R H00T 109.5 . . ?
C00I C00S H00U 120.2 . . ?
C00V C00S C00I 119.6(4) . . ?
C00V C00S H00U 120.2 . . ?
O006 C00T C00L 127.1(3) . . ?
O006 C00T H00V 116.5 . . ?
C00L C00T H00V 116.5 . . ?
C00Q C00U H00W 120.0 . . ?
C00V C00U C00Q 120.0(3) . . ?
C00V C00U H00W 120.0 . . ?
C00S C00V C00U 120.3(3) . . ?
C00S C00V H00X 119.9 . . ?
C00U C00V H00X 119.9 . . ?
C00X C00W Si02 111.6(3) . . ?
C00X C00W C00Z 107.6(3) . . ?
C00Y C00W Si02 114.0(3) . . ?
C00Y C00W C00X 108.3(3) . . ?
C00Y C00W C00Z 108.2(4) . . ?
C00Z C00W Si02 106.9(3) . . ?
C00W C00X H00Y 109.5 . . ?
C00W C00X H 109.5 . . ?
C00W C00X HA 109.5 . . ?
H00Y C00X H 109.5 . . ?
H00Y C00X HA 109.5 . . ?
H C00X HA 109.5 . . ?
C00W C00Y H00Z 109.5 . . ?
C00W C00Y HB 109.5 . . ?
C00W C00Y HC 109.5 . . ?
H00Z C00Y HB 109.5 . . ?
H00Z C00Y HC 109.5 . . ?
HB C00Y HC 109.5 . . ?
C00W C00Z H00 109.5 . . ?
C00W C00Z HD 109.5 . . ?
C00W C00Z HE 109.5 . . ?
H00 C00Z HD 109.5 . . ?
H00 C00Z HE 109.5 . . ?
HD C00Z HE 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
