# Electronic Supplementary Material (ESI) for Green Chemistry.
# 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_ddd
_database_code_depnum_ccdc_archive 'CCDC 1958998'
loop_
_audit_author_name
_audit_author_address
'Hiroshi Aoyama'
;Osaka University
Japan
;
_audit_update_record             
;
2019-10-12 deposited with the CCDC.	2020-01-10 downloaded from the CCDC.
;

_audit_creation_date             2017-08-04T14:07:22-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C20 H29 O2 Si1'
_chemical_formula_sum            'C40 H58 O4 Si2'
_chemical_formula_weight         659.04
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
_cell_length_a                   10.510(3)
_cell_length_b                   11.377(3)
_cell_length_c                   32.058(9)
_cell_angle_alpha                90
_cell_angle_beta                 93.828(7)
_cell_angle_gamma                90
_cell_volume                     3825.0(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    30670
_cell_measurement_theta_min      3.885
_cell_measurement_theta_max      68.29
_cell_measurement_wavelength     1.54178

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.26
_exptl_crystal_density_diffrn    1.144
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1432
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.128
_exptl_absorpt_correction_type   none

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'sealed x-ray tube'
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10
_diffrn_orient_matrix_type       fs_process
_diffrn_orient_matrix_ub_11      0.022941
_diffrn_orient_matrix_ub_12      -0.07671
_diffrn_orient_matrix_ub_13      0.013752
_diffrn_orient_matrix_ub_21      -0.09157
_diffrn_orient_matrix_ub_22      -0.024411
_diffrn_orient_matrix_ub_23      -0.002839
_diffrn_orient_matrix_ub_31      0.013476
_diffrn_orient_matrix_ub_32      -0.035285
_diffrn_orient_matrix_ub_33      -0.027932
_diffrn_measurement_device       'quarter Χ-circle diffractometer'
_diffrn_measurement_device_type  RAPID
_diffrn_measurement_method       'phi or omega oscillation scans'
_diffrn_reflns_av_R_equivalents  0.1298
_diffrn_reflns_number            39424
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         4.124
_diffrn_reflns_theta_max         68.205
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_ful 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_reflns_number_total             6995
_reflns_number_gt                4701
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        
'CrystalClear (Rigaku/MSC Inc., 2006), SORTAV (Blessing, 1995)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1562P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         6995
_refine_ls_number_parameters     415
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1053
_refine_ls_R_factor_gt           0.0689
_refine_ls_wR_factor_ref         0.2602
_refine_ls_wR_factor_gt          0.2056
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.42
_refine_diff_density_rms         0.105

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'

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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5129(3) 0.3456(3) 0.19647(12) 0.0311(9) Uani 1 d . .
C2 C 0.4263(3) 0.2659(3) 0.21127(11) 0.0326(9) Uani 1 d . .
H2 H 0.4528 0.1882 0.2184 0.039 Uiso 1 calc . .
C3 C 0.3011(4) 0.3002(4) 0.21562(12) 0.0380(10) Uani 1 d . .
H3 H 0.2434 0.2471 0.2273 0.046 Uiso 1 calc . .
C4 C 0.2595(4) 0.4109(4) 0.20303(12) 0.0381(9) Uani 1 d . .
H4 H 0.1724 0.4319 0.2043 0.046 Uiso 1 calc . .
C5 C 0.3448(3) 0.4898(4) 0.18877(11) 0.0339(9) Uani 1 d . .
H5 H 0.3157 0.5656 0.1802 0.041 Uiso 1 calc . .
C6 C 0.4759(3) 0.4614(3) 0.18642(11) 0.0305(8) Uani 1 d . .
C7 C 0.5624(3) 0.5546(3) 0.17540(11) 0.0313(9) Uani 1 d . .
C8 C 0.5327(3) 0.6656(3) 0.15011(12) 0.0324(9) Uani 1 d . .
H8 H 0.4674 0.7151 0.1631 0.039 Uiso 1 calc . .
C9 C 0.6734(3) 0.7053(3) 0.16479(12) 0.0341(9) Uani 1 d . .
H9A H 0.7293 0.7192 0.1416 0.041 Uiso 1 calc . .
H9B H 0.6778 0.7712 0.185 0.041 Uiso 1 calc . .
C10 C 0.6878(3) 0.5854(3) 0.18457(11) 0.0316(9) Uani 1 d . .
C11 C 0.7982(3) 0.5335(3) 0.20642(12) 0.0347(9) Uani 1 d . .
H11 H 0.7936 0.4547 0.2159 0.042 Uiso 1 calc . .
C12 C 0.6032(3) 0.5425(3) 0.06667(12) 0.0359(9) Uani 1 d . .
H12 H 0.5751 0.5437 0.0362 0.043 Uiso 1 calc . .
C13 C 0.5817(4) 0.4166(3) 0.08090(13) 0.0427(10) Uani 1 d . .
H13A H 0.4901 0.3998 0.0794 0.064 Uiso 1 calc . .
H13B H 0.6171 0.4069 0.1098 0.064 Uiso 1 calc . .
H13C H 0.6242 0.3621 0.0626 0.064 Uiso 1 calc . .
C14 C 0.7459(4) 0.5696(4) 0.06880(14) 0.0460(11) Uani 1 d . .
H14A H 0.759 0.6501 0.0591 0.069 Uiso 1 calc . .
H14B H 0.7889 0.5144 0.051 0.069 Uiso 1 calc . .
H14C H 0.7813 0.5618 0.0977 0.069 Uiso 1 calc . .
C15 C 0.5382(4) 0.8042(4) 0.07063(12) 0.0368(9) Uani 1 d . .
H15 H 0.6333 0.8092 0.0715 0.044 Uiso 1 calc . .
C16 C 0.4907(4) 0.8212(4) 0.02458(13) 0.0469(11) Uani 1 d . .
H16A H 0.5207 0.7558 0.0079 0.07 Uiso 1 calc . .
H16B H 0.524 0.8953 0.0142 0.07 Uiso 1 calc . .
H16C H 0.3973 0.8231 0.0223 0.07 Uiso 1 calc . .
C17 C 0.4944(4) 0.9068(4) 0.09692(13) 0.0433(10) Uani 1 d . .
H17A H 0.5267 0.8962 0.1261 0.065 Uiso 1 calc . .
H17B H 0.401 0.9095 0.0954 0.065 Uiso 1 calc . .
H17C H 0.5275 0.9806 0.0862 0.065 Uiso 1 calc . .
C18 C 0.3274(3) 0.6094(4) 0.08159(12) 0.0359(9) Uani 1 d . .
H18 H 0.314 0.5412 0.1005 0.043 Uiso 1 calc . .
C19 C 0.2930(4) 0.5661(4) 0.03725(12) 0.0442(11) Uani 1 d . .
H19A H 0.3533 0.5049 0.03 0.066 Uiso 1 calc . .
H19B H 0.2971 0.6319 0.0176 0.066 Uiso 1 calc . .
H19C H 0.2064 0.5337 0.0356 0.066 Uiso 1 calc . .
C20 C 0.2322(3) 0.7058(4) 0.09355(13) 0.0436(11) Uani 1 d . .
H20A H 0.2542 0.7322 0.1222 0.065 Uiso 1 calc . .
H20B H 0.1455 0.6736 0.0916 0.065 Uiso 1 calc . .
H20C H 0.2367 0.7725 0.0743 0.065 Uiso 1 calc . .
C21 C 0.0603(3) 0.8486(3) 0.19971(12) 0.0316(9) Uani 1 d . .
C22 C 0.1554(4) 0.7685(3) 0.21351(11) 0.0346(9) Uani 1 d . .
H22 H 0.1323 0.6923 0.2224 0.042 Uiso 1 calc . .
C23 C 0.2823(4) 0.7997(3) 0.21422(11) 0.0357(9) Uani 1 d . .
H23 H 0.3462 0.7452 0.2238 0.043 Uiso 1 calc . .
C24 C 0.3174(4) 0.9116(4) 0.20082(12) 0.0382(10) Uani 1 d . .
H24 H 0.4049 0.9329 0.201 0.046 Uiso 1 calc . .
C25 C 0.2235(3) 0.9914(3) 0.18723(11) 0.0332(9) Uani 1 d . .
H25 H 0.2475 1.0669 0.1779 0.04 Uiso 1 calc . .
C26 C 0.0926(3) 0.9620(3) 0.18699(11) 0.0306(8) Uani 1 d . .
C27 C 0.0015(3) 1.0556(3) 0.17501(11) 0.0304(8) Uani 1 d . .
C28 C 0.0240(3) 1.1658(3) 0.15074(12) 0.0337(9) Uani 1 d . .
H28 H 0.094 1.2149 0.1643 0.04 Uiso 1 calc . .
C29 C -0.1107(4) 1.2053(3) 0.16362(12) 0.0346(9) Uani 1 d . .
H29A H -0.1088 1.2704 0.1842 0.042 Uiso 1 calc . .
H29B H -0.1732 1.2206 0.1398 0.042 Uiso 1 calc . .
C30 C -0.1206(3) 1.0841(3) 0.18267(11) 0.0329(9) Uani 1 d . .
C31 C -0.2277(4) 1.0337(4) 0.20145(12) 0.0377(9) Uani 1 d . .
H31 H -0.2209 0.9552 0.2114 0.045 Uiso 1 calc . .
C32 C 0.2037(3) 1.1091(4) 0.08204(12) 0.0350(9) Uani 1 d . .
H32 H 0.2243 1.0407 0.1009 0.042 Uiso 1 calc . .
C33 C 0.3040(4) 1.2035(4) 0.09418(13) 0.0416(10) Uani 1 d . .
H33A H 0.2932 1.2303 0.1228 0.062 Uiso 1 calc . .
H33B H 0.2934 1.2701 0.0749 0.062 Uiso 1 calc . .
H33C H 0.3896 1.1702 0.0926 0.062 Uiso 1 calc . .
C34 C 0.2208(4) 1.0651(4) 0.03751(12) 0.0435(11) Uani 1 d . .
H34A H 0.1569 1.0045 0.0301 0.065 Uiso 1 calc . .
H34B H 0.3064 1.0319 0.0361 0.065 Uiso 1 calc . .
H34C H 0.2099 1.1309 0.0178 0.065 Uiso 1 calc . .
C35 C -0.0100(4) 1.3048(4) 0.07095(12) 0.0394(10) Uani 1 d . .
H35 H -0.1048 1.31 0.0718 0.047 Uiso 1 calc . .
C36 C 0.0437(4) 1.4057(4) 0.09730(13) 0.0443(11) Uani 1 d . .
H36A H 0.0248 1.3934 0.1265 0.066 Uiso 1 calc . .
H36B H 0.0049 1.4795 0.0871 0.066 Uiso 1 calc . .
H36C H 0.1363 1.4095 0.0953 0.066 Uiso 1 calc . .
C37 C 0.0185(4) 1.3206(4) 0.02473(13) 0.0490(12) Uani 1 d . .
H37A H -0.0187 1.255 0.0082 0.073 Uiso 1 calc . .
H37B H 0.1109 1.3221 0.0224 0.073 Uiso 1 calc . .
H37C H -0.0187 1.3947 0.0142 0.073 Uiso 1 calc . .
C38 C -0.0762(3) 1.0419(3) 0.06680(12) 0.0362(9) Uani 1 d . .
H38 H -0.0586 1.0422 0.0365 0.043 Uiso 1 calc . .
C39 C -0.0513(4) 0.9157(3) 0.08161(13) 0.0438(11) Uani 1 d . .
H39A H 0.0398 0.8979 0.0808 0.066 Uiso 1 calc . .
H39B H -0.1007 0.8613 0.0632 0.066 Uiso 1 calc . .
H39C H -0.0769 0.9071 0.1103 0.066 Uiso 1 calc . .
C40 C -0.2198(3) 1.0690(4) 0.06791(13) 0.0452(11) Uani 1 d . .
H40A H -0.2364 1.1494 0.0581 0.068 Uiso 1 calc . .
H40B H -0.2453 1.0612 0.0966 0.068 Uiso 1 calc . .
H40C H -0.2687 1.0136 0.0498 0.068 Uiso 1 calc . .
O1 O 0.6347(2) 0.3149(2) 0.18980(8) 0.0349(6) Uani 1 d . .
O2 O 0.8990(2) 0.5890(2) 0.21312(8) 0.0426(7) Uani 1 d . .
O3 O -0.0655(2) 0.8179(2) 0.19844(9) 0.0428(7) Uani 1 d . .
O4 O -0.3281(2) 1.0870(2) 0.20534(9) 0.0448(7) Uani 1 d . .
Si1 Si 0.49996(9) 0.65490(9) 0.09178(3) 0.0316(3) Uani 1 d . .
Si2 Si 0.03598(9) 1.15395(9) 0.09218(3) 0.0322(3) Uani 1 d . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.358(4) . ?
C1 C2 1.390(5) . ?
C1 C6 1.405(5) . ?
C2 C3 1.389(5) . ?
C3 C4 1.385(5) . ?
C4 C5 1.369(5) . ?
C5 C6 1.421(5) . ?
C6 C7 1.455(5) . ?
C7 C10 1.376(5) . ?
C7 C8 1.522(5) . ?
C8 C9 1.587(5) . ?
C8 Si1 1.882(4) . ?
C9 C10 1.508(5) . ?
C10 C11 1.441(5) . ?
C11 O2 1.239(4) . ?
C12 C13 1.524(5) . ?
C12 C14 1.528(5) . ?
C12 Si1 1.891(4) . ?
C15 C17 1.529(6) . ?
C15 C16 1.538(5) . ?
C15 Si1 1.883(4) . ?
C18 C19 1.525(5) . ?
C18 C20 1.550(5) . ?
C18 Si1 1.893(4) . ?
C21 O3 1.365(4) . ?
C21 C26 1.401(5) . ?
C21 C22 1.403(5) . ?
C22 C23 1.379(5) . ?
C23 C24 1.401(5) . ?
C24 C25 1.389(5) . ?
C25 C26 1.415(5) . ?
C26 C27 1.466(5) . ?
C27 C30 1.363(5) . ?
C27 C28 1.503(5) . ?
C28 C29 1.567(5) . ?
C28 Si2 1.895(4) . ?
C29 C30 1.515(5) . ?
C30 C31 1.432(5) . ?
C31 O4 1.231(4) . ?
C32 C34 1.535(5) . ?
C32 C33 1.536(5) . ?
C32 Si2 1.884(4) . ?
C35 C36 1.512(6) . ?
C35 C37 1.542(6) . ?
C35 Si2 1.897(4) . ?
C38 C39 1.529(5) . ?
C38 C40 1.543(5) . ?
C38 Si2 1.884(4) . ?

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 C1 C2 122.1(3) . . ?
O1 C1 C6 117.1(3) . . ?
C2 C1 C6 120.8(3) . . ?
C1 C2 C3 119.8(4) . . ?
C4 C3 C2 120.6(4) . . ?
C5 C4 C3 119.5(4) . . ?
C4 C5 C6 121.9(4) . . ?
C1 C6 C5 117.1(3) . . ?
C1 C6 C7 124.8(3) . . ?
C5 C6 C7 118.1(3) . . ?
C10 C7 C6 137.6(3) . . ?
C10 C7 C8 93.5(3) . . ?
C6 C7 C8 128.6(3) . . ?
C7 C8 C9 85.7(3) . . ?
C7 C8 Si1 119.5(3) . . ?
C9 C8 Si1 114.7(3) . . ?
C10 C9 C8 86.1(3) . . ?
C7 C10 C11 136.7(4) . . ?
C7 C10 C9 94.2(3) . . ?
C11 C10 C9 129.0(3) . . ?
O2 C11 C10 121.8(4) . . ?
C13 C12 C14 109.9(3) . . ?
C13 C12 Si1 114.0(3) . . ?
C14 C12 Si1 115.7(3) . . ?
C17 C15 C16 110.1(3) . . ?
C17 C15 Si1 114.3(3) . . ?
C16 C15 Si1 113.3(3) . . ?
C19 C18 C20 110.0(3) . . ?
C19 C18 Si1 114.5(3) . . ?
C20 C18 Si1 113.0(3) . . ?
O3 C21 C26 118.7(3) . . ?
O3 C21 C22 120.8(3) . . ?
C26 C21 C22 120.5(3) . . ?
C23 C22 C21 120.4(4) . . ?
C22 C23 C24 120.2(4) . . ?
C25 C24 C23 119.6(4) . . ?
C24 C25 C26 121.2(4) . . ?
C21 C26 C25 118.1(3) . . ?
C21 C26 C27 125.3(3) . . ?
C25 C26 C27 116.6(3) . . ?
C30 C27 C26 137.1(4) . . ?
C30 C27 C28 94.4(3) . . ?
C26 C27 C28 128.3(3) . . ?
C27 C28 C29 85.8(3) . . ?
C27 C28 Si2 118.4(3) . . ?
C29 C28 Si2 113.7(2) . . ?
C30 C29 C28 86.2(3) . . ?
C27 C30 C31 139.2(4) . . ?
C27 C30 C29 93.1(3) . . ?
C31 C30 C29 127.7(3) . . ?
O4 C31 C30 123.3(4) . . ?
C34 C32 C33 110.1(3) . . ?
C34 C32 Si2 114.7(2) . . ?
C33 C32 Si2 113.7(3) . . ?
C36 C35 C37 111.0(3) . . ?
C36 C35 Si2 114.2(3) . . ?
C37 C35 Si2 112.9(3) . . ?
C39 C38 C40 109.1(3) . . ?
C39 C38 Si2 114.3(3) . . ?
C40 C38 Si2 116.1(3) . . ?
C15 Si1 C8 105.68(17) . . ?
C15 Si1 C18 114.17(18) . . ?
C8 Si1 C18 107.37(16) . . ?
C15 Si1 C12 108.35(17) . . ?
C8 Si1 C12 113.24(17) . . ?
C18 Si1 C12 108.16(17) . . ?
C32 Si2 C38 107.95(17) . . ?
C32 Si2 C35 113.70(18) . . ?
C38 Si2 C35 108.67(17) . . ?
C32 Si2 C28 108.37(16) . . ?
C38 Si2 C28 113.28(17) . . ?
C35 Si2 C28 104.99(18) . . ?

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
O1 C1 C2 C3 -176.8(3) . . . . ?
C6 C1 C2 C3 1.0(6) . . . . ?
C1 C2 C3 C4 3.8(6) . . . . ?
C2 C3 C4 C5 -4.3(6) . . . . ?
C3 C4 C5 C6 0.0(6) . . . . ?
O1 C1 C6 C5 172.9(3) . . . . ?
C2 C1 C6 C5 -5.0(5) . . . . ?
O1 C1 C6 C7 -9.5(5) . . . . ?
C2 C1 C6 C7 172.5(3) . . . . ?
C4 C5 C6 C1 4.6(5) . . . . ?
C4 C5 C6 C7 -173.2(3) . . . . ?
C1 C6 C7 C10 -30.3(7) . . . . ?
C5 C6 C7 C10 147.3(5) . . . . ?
C1 C6 C7 C8 156.4(4) . . . . ?
C5 C6 C7 C8 -26.0(6) . . . . ?
C10 C7 C8 C9 -5.3(3) . . . . ?
C6 C7 C8 C9 170.2(4) . . . . ?
C10 C7 C8 Si1 110.7(3) . . . . ?
C6 C7 C8 Si1 -73.8(5) . . . . ?
C7 C8 C9 C10 4.8(3) . . . . ?
Si1 C8 C9 C10 -115.8(3) . . . . ?
C6 C7 C10 C11 7.9(9) . . . . ?
C8 C7 C10 C11 -177.4(5) . . . . ?
C6 C7 C10 C9 -169.2(5) . . . . ?
C8 C7 C10 C9 5.6(3) . . . . ?
C8 C9 C10 C7 -5.4(3) . . . . ?
C8 C9 C10 C11 177.3(4) . . . . ?
C7 C10 C11 O2 -172.9(4) . . . . ?
C9 C10 C11 O2 3.3(6) . . . . ?
O3 C21 C22 C23 179.2(3) . . . . ?
C26 C21 C22 C23 -0.9(6) . . . . ?
C21 C22 C23 C24 -0.5(6) . . . . ?
C22 C23 C24 C25 0.7(6) . . . . ?
C23 C24 C25 C26 0.5(6) . . . . ?
O3 C21 C26 C25 -178.1(3) . . . . ?
C22 C21 C26 C25 2.0(5) . . . . ?
O3 C21 C26 C27 4.7(6) . . . . ?
C22 C21 C26 C27 -175.2(4) . . . . ?
C24 C25 C26 C21 -1.9(5) . . . . ?
C24 C25 C26 C27 175.6(3) . . . . ?
C21 C26 C27 C30 24.2(7) . . . . ?
C25 C26 C27 C30 -153.0(4) . . . . ?
C21 C26 C27 C28 -162.3(4) . . . . ?
C25 C26 C27 C28 20.5(6) . . . . ?
C30 C27 C28 C29 5.8(3) . . . . ?
C26 C27 C28 C29 -169.7(4) . . . . ?
C30 C27 C28 Si2 -109.0(3) . . . . ?
C26 C27 C28 Si2 75.5(4) . . . . ?
C27 C28 C29 C30 -5.3(3) . . . . ?
Si2 C28 C29 C30 114.1(3) . . . . ?
C26 C27 C30 C31 -9.8(8) . . . . ?
C28 C27 C30 C31 175.3(5) . . . . ?
C26 C27 C30 C29 168.8(4) . . . . ?
C28 C27 C30 C29 -6.0(3) . . . . ?
C28 C29 C30 C27 5.8(3) . . . . ?
C28 C29 C30 C31 -175.4(4) . . . . ?
C27 C30 C31 O4 176.4(4) . . . . ?
C29 C30 C31 O4 -1.9(6) . . . . ?
C17 C15 Si1 C8 -40.6(3) . . . . ?
C16 C15 Si1 C8 -167.8(3) . . . . ?
C17 C15 Si1 C18 77.2(3) . . . . ?
C16 C15 Si1 C18 -50.0(3) . . . . ?
C17 C15 Si1 C12 -162.2(3) . . . . ?
C16 C15 Si1 C12 70.6(3) . . . . ?
C7 C8 Si1 C15 -156.2(3) . . . . ?
C9 C8 Si1 C15 -56.7(3) . . . . ?
C7 C8 Si1 C18 81.6(3) . . . . ?
C9 C8 Si1 C18 -179.0(3) . . . . ?
C7 C8 Si1 C12 -37.8(3) . . . . ?
C9 C8 Si1 C12 61.7(3) . . . . ?
C19 C18 Si1 C15 78.1(3) . . . . ?
C20 C18 Si1 C15 -48.9(3) . . . . ?
C19 C18 Si1 C8 -165.1(3) . . . . ?
C20 C18 Si1 C8 67.9(3) . . . . ?
C19 C18 Si1 C12 -42.6(3) . . . . ?
C20 C18 Si1 C12 -169.5(3) . . . . ?
C13 C12 Si1 C15 -179.8(3) . . . . ?
C14 C12 Si1 C15 51.3(3) . . . . ?
C13 C12 Si1 C8 63.4(3) . . . . ?
C14 C12 Si1 C8 -65.6(3) . . . . ?
C13 C12 Si1 C18 -55.5(3) . . . . ?
C14 C12 Si1 C18 175.5(3) . . . . ?
C34 C32 Si2 C38 42.0(3) . . . . ?
C33 C32 Si2 C38 169.8(3) . . . . ?
C34 C32 Si2 C35 -78.7(3) . . . . ?
C33 C32 Si2 C35 49.2(3) . . . . ?
C34 C32 Si2 C28 165.0(3) . . . . ?
C33 C32 Si2 C28 -67.1(3) . . . . ?
C39 C38 Si2 C32 57.2(3) . . . . ?
C40 C38 Si2 C32 -174.4(3) . . . . ?
C39 C38 Si2 C35 -179.1(3) . . . . ?
C40 C38 Si2 C35 -50.7(3) . . . . ?
C39 C38 Si2 C28 -62.8(3) . . . . ?
C40 C38 Si2 C28 65.6(3) . . . . ?
C36 C35 Si2 C32 -77.4(3) . . . . ?
C37 C35 Si2 C32 50.7(3) . . . . ?
C36 C35 Si2 C38 162.3(3) . . . . ?
C37 C35 Si2 C38 -69.6(3) . . . . ?
C36 C35 Si2 C28 40.9(3) . . . . ?
C37 C35 Si2 C28 168.9(3) . . . . ?
C27 C28 Si2 C32 -82.7(3) . . . . ?
C29 C28 Si2 C32 178.8(3) . . . . ?
C27 C28 Si2 C38 37.0(3) . . . . ?
C29 C28 Si2 C38 -61.5(3) . . . . ?
C27 C28 Si2 C35 155.4(3) . . . . ?
C29 C28 Si2 C35 56.9(3) . . . . ?

# END of CIF
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
