# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 2106906'
loop_
_audit_author_name
_audit_author_address
'qinglong shi'
;shanghai jiaotong university
China
;
_audit_update_record             
;
2021-09-01 deposited with the CCDC.	2023-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C35 H32 O2 Si [+ solvent]'
_chemical_formula_sum            'C35 H32 O2 Si'
_chemical_formula_weight         512.69

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

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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'

_cell_length_a                   10.0090(12)
_cell_length_b                   9.9699(10)
_cell_length_c                   16.3765(18)
_cell_angle_alpha                90
_cell_angle_beta                 98.738(6)
_cell_angle_gamma                90
_cell_volume                     1615.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9935
_cell_measurement_theta_min      4.47
_cell_measurement_theta_max      68.49

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.054
_exptl_crystal_F_000             544
_exptl_transmission_factor_min   0.6292
_exptl_transmission_factor_max   0.7531
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.835
_shelx_estimated_absorpt_T_min   0.838
_shelx_estimated_absorpt_T_max   0.864
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26927
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         6.519
_diffrn_reflns_theta_max         66.581
_diffrn_reflns_theta_full        66.581
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             5639
_reflns_number_gt                5039
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.883
_reflns_Friedel_fraction_max     0.992
_reflns_Friedel_fraction_full    0.992

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0979P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2154 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.006(10)
_chemical_absolute_configuration AD
_refine_ls_number_reflns         5639
_refine_ls_number_parameters     344
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0392
_refine_ls_wR_factor_ref         0.1233
_refine_ls_wR_factor_gt          0.1174
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_restrained_S_all      0.977
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.77174(7) 0.59483(8) 0.73589(4) 0.0566(2) Uani 1 1 d . . . . .
C1 C 0.3419(3) 0.3721(3) 0.67757(18) 0.0548(6) Uani 1 1 d . . . . .
O1 O 0.4494(3) 0.8456(2) 0.53063(16) 0.0836(7) Uani 1 1 d . . . . .
O2 O 0.5119(2) 0.6925(2) 0.62481(13) 0.0632(5) Uani 1 1 d . . . . .
C2 C 0.4130(4) 0.2670(3) 0.6437(2) 0.0724(8) Uani 1 1 d . . . . .
H2 H 0.463735 0.286744 0.602196 0.087 Uiso 1 1 calc R U . . .
C4 C 0.3324(3) 0.1031(3) 0.7329(2) 0.0688(7) Uani 1 1 d . . . . .
C3 C 0.4083(4) 0.1389(3) 0.6707(2) 0.0799(10) Uani 1 1 d . . . . .
H3 H 0.456559 0.072986 0.647553 0.096 Uiso 1 1 calc R U . . .
C5 C 0.2599(3) 0.2058(4) 0.7667(2) 0.0672(7) Uani 1 1 d . . . . .
C7 C 0.1804(5) 0.1703(5) 0.8277(3) 0.0992(13) Uani 1 1 d . . . . .
H7 H 0.132150 0.235944 0.851151 0.119 Uiso 1 1 calc R U . . .
C6 C 0.2692(3) 0.3388(3) 0.73872(17) 0.0597(7) Uani 1 1 d . . . . .
H6 H 0.224227 0.406256 0.762820 0.072 Uiso 1 1 calc R U . . .
C9 C 0.2460(6) -0.0602(6) 0.8193(4) 0.1212(17) Uani 1 1 d . . . . .
H9 H 0.240962 -0.148287 0.837259 0.145 Uiso 1 1 calc R U . . .
C8 C 0.1742(6) 0.0391(6) 0.8524(4) 0.127(2) Uani 1 1 d . . . . .
H8 H 0.120712 0.016670 0.892041 0.152 Uiso 1 1 calc R U . . .
C10 C 0.3237(5) -0.0304(4) 0.7609(3) 0.0943(12) Uani 1 1 d . . . . .
H10 H 0.371720 -0.098082 0.739127 0.113 Uiso 1 1 calc R U . . .
C11 C 0.3514(3) 0.5149(3) 0.64500(17) 0.0565(6) Uani 1 1 d . . . . .
C12 C 0.5026(3) 0.5525(3) 0.65031(17) 0.0542(6) Uani 1 1 d . . . . .
H12 H 0.542589 0.495733 0.611559 0.065 Uiso 1 1 calc R U . . .
C13 C 0.2914(3) 0.5213(4) 0.5511(2) 0.0726(8) Uani 1 1 d . . . . .
H13A H 0.299813 0.433570 0.526787 0.087 Uiso 1 1 calc R U . . .
H13B H 0.195876 0.542363 0.545795 0.087 Uiso 1 1 calc R U . . .
C14 C 0.3596(4) 0.6238(4) 0.5034(2) 0.0776(9) Uani 1 1 d . . . . .
H14A H 0.418932 0.576408 0.471622 0.093 Uiso 1 1 calc R U . . .
H14B H 0.290365 0.667050 0.464265 0.093 Uiso 1 1 calc R U . . .
C15 C 0.4400(3) 0.7306(3) 0.5521(2) 0.0633(7) Uani 1 1 d . . . . .
C16 C 0.2767(3) 0.6148(3) 0.6921(2) 0.0762(9) Uani 1 1 d . . . . .
H16A H 0.281583 0.702532 0.668571 0.114 Uiso 1 1 calc R U . . .
H16B H 0.317659 0.616525 0.749038 0.114 Uiso 1 1 calc R U . . .
H16C H 0.183746 0.588313 0.688390 0.114 Uiso 1 1 calc R U . . .
C17 C 0.5897(3) 0.5431(3) 0.73408(18) 0.0620(7) Uani 1 1 d . . . . .
H17A H 0.587882 0.451337 0.753499 0.074 Uiso 1 1 calc R U . . .
H17B H 0.550338 0.599260 0.772558 0.074 Uiso 1 1 calc R U . . .
C18 C 0.7915(3) 0.7816(3) 0.73693(19) 0.0652(7) Uani 1 1 d . . . . .
C19 C 0.7172(5) 0.8615(4) 0.7822(3) 0.0980(13) Uani 1 1 d . . . . .
H19 H 0.656571 0.820915 0.812230 0.118 Uiso 1 1 calc R U . . .
C20 C 0.7295(6) 0.9995(5) 0.7844(4) 0.1202(18) Uani 1 1 d . . . . .
H20 H 0.680204 1.050985 0.816715 0.144 Uiso 1 1 calc R U . . .
C21 C 0.8159(7) 1.0588(5) 0.7381(4) 0.1187(17) Uani 1 1 d . . . . .
H21 H 0.822867 1.151763 0.737424 0.142 Uiso 1 1 calc R U . . .
C22 C 0.8903(8) 0.9851(5) 0.6939(4) 0.139(2) Uani 1 1 d . . . . .
H22 H 0.949033 1.026988 0.663052 0.166 Uiso 1 1 calc R U . . .
C23 C 0.8801(5) 0.8452(4) 0.6937(3) 0.1039(14) Uani 1 1 d . . . . .
H23 H 0.934121 0.794580 0.663954 0.125 Uiso 1 1 calc R U . . .
C24 C 0.8383(3) 0.5195(3) 0.64456(17) 0.0612(7) Uani 1 1 d . . . . .
C25 C 0.8061(3) 0.5727(4) 0.5646(2) 0.0764(9) Uani 1 1 d . . . . .
H25 H 0.753146 0.649552 0.556176 0.092 Uiso 1 1 calc R U . . .
C26 C 0.8521(4) 0.5123(5) 0.4981(2) 0.0923(12) Uani 1 1 d . . . . .
H26 H 0.831217 0.549469 0.445679 0.111 Uiso 1 1 calc R U . . .
C27 C 0.9284(4) 0.3978(5) 0.5093(3) 0.0926(12) Uani 1 1 d . . . . .
H27 H 0.957750 0.356284 0.464379 0.111 Uiso 1 1 calc R U . . .
C28 C 0.9610(4) 0.3451(4) 0.5860(3) 0.0885(11) Uani 1 1 d . . . . .
H28 H 1.013770 0.268011 0.593545 0.106 Uiso 1 1 calc R U . . .
C29 C 0.9170(3) 0.4045(3) 0.6529(2) 0.0709(8) Uani 1 1 d . . . . .
H29 H 0.940480 0.366521 0.704979 0.085 Uiso 1 1 calc R U . . .
C30 C 0.8725(3) 0.5245(3) 0.83221(19) 0.0686(8) Uani 1 1 d . . . . .
C31 C 0.9966(5) 0.5854(5) 0.8647(3) 0.1114(15) Uani 1 1 d . . . . .
H31 H 1.024184 0.662238 0.839727 0.134 Uiso 1 1 calc R U . . .
C32 C 1.0770(7) 0.5334(8) 0.9326(5) 0.151(3) Uani 1 1 d . . . . .
H32 H 1.160033 0.572901 0.951755 0.181 Uiso 1 1 calc R U . . .
C33 C 1.0343(8) 0.4196(9) 0.9735(3) 0.142(3) Uani 1 1 d . . . . .
H33 H 1.086394 0.386684 1.021154 0.171 Uiso 1 1 calc R U . . .
C34 C 0.9162(7) 0.3596(8) 0.9419(3) 0.137(2) Uani 1 1 d . . . . .
H34 H 0.887700 0.283441 0.967247 0.164 Uiso 1 1 calc R U . . .
C35 C 0.8366(5) 0.4122(5) 0.8711(3) 0.0972(12) Uani 1 1 d . . . . .
H35 H 0.756601 0.368728 0.849899 0.117 Uiso 1 1 calc R U . . .


_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 C18 1.873(3) . ?
Si1 C30 1.875(3) . ?
Si1 C24 1.883(3) . ?
Si1 C17 1.889(3) . ?
C1 C6 1.365(4) . ?
C1 C2 1.425(4) . ?
C1 C11 1.528(4) . ?
O1 C15 1.206(4) . ?
O2 C15 1.349(4) . ?
O2 C12 1.464(3) . ?
C2 C3 1.354(5) . ?
C4 C3 1.406(5) . ?
C4 C10 1.415(5) . ?
C4 C5 1.415(5) . ?
C5 C6 1.411(5) . ?
C5 C7 1.413(5) . ?
C7 C8 1.373(6) . ?
C9 C10 1.354(7) . ?
C9 C8 1.382(8) . ?
C11 C16 1.523(4) . ?
C11 C12 1.549(4) . ?
C11 C13 1.564(4) . ?
C12 C17 1.512(4) . ?
C13 C14 1.511(5) . ?
C14 C15 1.491(5) . ?
C18 C23 1.370(5) . ?
C18 C19 1.380(5) . ?
C19 C20 1.382(7) . ?
C20 C21 1.368(8) . ?
C21 C22 1.335(8) . ?
C22 C23 1.399(6) . ?
C24 C29 1.386(5) . ?
C24 C25 1.405(4) . ?
C25 C26 1.382(5) . ?
C26 C27 1.370(7) . ?
C27 C28 1.355(6) . ?
C28 C29 1.375(5) . ?
C30 C35 1.363(6) . ?
C30 C31 1.412(6) . ?
C31 C32 1.371(8) . ?
C32 C33 1.416(11) . ?
C33 C34 1.356(11) . ?
C34 C35 1.405(7) . ?

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
C18 Si1 C30 108.75(15) . . ?
C18 Si1 C24 110.73(13) . . ?
C30 Si1 C24 108.00(13) . . ?
C18 Si1 C17 111.83(14) . . ?
C30 Si1 C17 107.79(15) . . ?
C24 Si1 C17 109.61(13) . . ?
C6 C1 C2 117.3(3) . . ?
C6 C1 C11 123.4(2) . . ?
C2 C1 C11 119.2(2) . . ?
C15 O2 C12 118.1(2) . . ?
C3 C2 C1 121.5(3) . . ?
C3 C4 C10 122.7(3) . . ?
C3 C4 C5 117.7(3) . . ?
C10 C4 C5 119.6(3) . . ?
C2 C3 C4 121.7(3) . . ?
C6 C5 C4 119.3(3) . . ?
C6 C5 C7 122.5(4) . . ?
C4 C5 C7 118.2(4) . . ?
C8 C7 C5 120.1(4) . . ?
C1 C6 C5 122.4(3) . . ?
C10 C9 C8 120.6(4) . . ?
C7 C8 C9 121.2(4) . . ?
C9 C10 C4 120.4(4) . . ?
C16 C11 C1 111.8(2) . . ?
C16 C11 C12 111.3(2) . . ?
C1 C11 C12 108.5(2) . . ?
C16 C11 C13 109.1(3) . . ?
C1 C11 C13 110.2(2) . . ?
C12 C11 C13 105.7(2) . . ?
O2 C12 C17 105.3(2) . . ?
O2 C12 C11 108.6(2) . . ?
C17 C12 C11 117.4(2) . . ?
C14 C13 C11 113.6(3) . . ?
C15 C14 C13 117.1(3) . . ?
O1 C15 O2 118.0(3) . . ?
O1 C15 C14 125.6(3) . . ?
O2 C15 C14 116.3(3) . . ?
C12 C17 Si1 114.78(18) . . ?
C23 C18 C19 117.0(4) . . ?
C23 C18 Si1 122.1(3) . . ?
C19 C18 Si1 120.9(3) . . ?
C20 C19 C18 122.4(4) . . ?
C19 C20 C21 118.4(5) . . ?
C22 C21 C20 121.0(4) . . ?
C21 C22 C23 120.2(5) . . ?
C18 C23 C22 120.9(5) . . ?
C29 C24 C25 116.8(3) . . ?
C29 C24 Si1 121.0(2) . . ?
C25 C24 Si1 122.1(2) . . ?
C26 C25 C24 120.9(4) . . ?
C27 C26 C25 120.2(4) . . ?
C28 C27 C26 119.8(3) . . ?
C27 C28 C29 120.7(4) . . ?
C28 C29 C24 121.6(4) . . ?
C35 C30 C31 117.2(4) . . ?
C35 C30 Si1 123.6(3) . . ?
C31 C30 Si1 119.1(3) . . ?
C32 C31 C30 121.2(6) . . ?
C31 C32 C33 120.3(6) . . ?
C34 C33 C32 118.8(5) . . ?
C33 C34 C35 120.1(6) . . ?
C30 C35 C34 122.4(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0.3(5) . . . . ?
C11 C1 C2 C3 179.7(4) . . . . ?
C1 C2 C3 C4 0.5(6) . . . . ?
C10 C4 C3 C2 178.7(4) . . . . ?
C5 C4 C3 C2 0.1(6) . . . . ?
C3 C4 C5 C6 -1.6(5) . . . . ?
C10 C4 C5 C6 179.8(3) . . . . ?
C3 C4 C5 C7 178.4(4) . . . . ?
C10 C4 C5 C7 -0.3(5) . . . . ?
C6 C5 C7 C8 179.6(5) . . . . ?
C4 C5 C7 C8 -0.4(7) . . . . ?
C2 C1 C6 C5 -1.9(4) . . . . ?
C11 C1 C6 C5 178.8(3) . . . . ?
C4 C5 C6 C1 2.5(5) . . . . ?
C7 C5 C6 C1 -177.4(4) . . . . ?
C5 C7 C8 C9 0.8(9) . . . . ?
C10 C9 C8 C7 -0.6(10) . . . . ?
C8 C9 C10 C4 -0.1(8) . . . . ?
C3 C4 C10 C9 -178.1(5) . . . . ?
C5 C4 C10 C9 0.5(6) . . . . ?
C6 C1 C11 C16 3.1(4) . . . . ?
C2 C1 C11 C16 -176.3(3) . . . . ?
C6 C1 C11 C12 126.2(3) . . . . ?
C2 C1 C11 C12 -53.1(4) . . . . ?
C6 C1 C11 C13 -118.4(3) . . . . ?
C2 C1 C11 C13 62.2(4) . . . . ?
C15 O2 C12 C17 -178.3(2) . . . . ?
C15 O2 C12 C11 -51.8(3) . . . . ?
C16 C11 C12 O2 -52.5(3) . . . . ?
C1 C11 C12 O2 -175.9(2) . . . . ?
C13 C11 C12 O2 65.8(3) . . . . ?
C16 C11 C12 C17 66.7(3) . . . . ?
C1 C11 C12 C17 -56.7(3) . . . . ?
C13 C11 C12 C17 -175.0(3) . . . . ?
C16 C11 C13 C14 88.9(3) . . . . ?
C1 C11 C13 C14 -148.0(3) . . . . ?
C12 C11 C13 C14 -30.9(4) . . . . ?
C11 C13 C14 C15 -18.3(4) . . . . ?
C12 O2 C15 O1 -179.0(3) . . . . ?
C12 O2 C15 C14 -1.3(4) . . . . ?
C13 C14 C15 O1 -144.5(3) . . . . ?
C13 C14 C15 O2 38.1(4) . . . . ?
O2 C12 C17 Si1 -57.6(3) . . . . ?
C11 C12 C17 Si1 -178.5(2) . . . . ?
C18 Si1 C17 C12 78.8(2) . . . . ?
C30 Si1 C17 C12 -161.7(2) . . . . ?
C24 Si1 C17 C12 -44.4(3) . . . . ?
C30 Si1 C18 C23 99.2(4) . . . . ?
C24 Si1 C18 C23 -19.3(4) . . . . ?
C17 Si1 C18 C23 -141.8(3) . . . . ?
C30 Si1 C18 C19 -80.4(4) . . . . ?
C24 Si1 C18 C19 161.1(3) . . . . ?
C17 Si1 C18 C19 38.6(4) . . . . ?
C23 C18 C19 C20 0.2(7) . . . . ?
Si1 C18 C19 C20 179.9(4) . . . . ?
C18 C19 C20 C21 1.9(9) . . . . ?
C19 C20 C21 C22 -2.3(10) . . . . ?
C20 C21 C22 C23 0.5(11) . . . . ?
C19 C18 C23 C22 -2.1(8) . . . . ?
Si1 C18 C23 C22 178.3(5) . . . . ?
C21 C22 C23 C18 1.8(10) . . . . ?
C18 Si1 C24 C29 136.6(2) . . . . ?
C30 Si1 C24 C29 17.6(3) . . . . ?
C17 Si1 C24 C29 -99.6(3) . . . . ?
C18 Si1 C24 C25 -46.5(3) . . . . ?
C30 Si1 C24 C25 -165.4(3) . . . . ?
C17 Si1 C24 C25 77.4(3) . . . . ?
C29 C24 C25 C26 -0.4(5) . . . . ?
Si1 C24 C25 C26 -177.4(3) . . . . ?
C24 C25 C26 C27 1.1(6) . . . . ?
C25 C26 C27 C28 -1.3(6) . . . . ?
C26 C27 C28 C29 0.8(6) . . . . ?
C27 C28 C29 C24 -0.1(6) . . . . ?
C25 C24 C29 C28 -0.1(5) . . . . ?
Si1 C24 C29 C28 177.0(3) . . . . ?
C18 Si1 C30 C35 148.2(3) . . . . ?
C24 Si1 C30 C35 -91.6(3) . . . . ?
C17 Si1 C30 C35 26.8(3) . . . . ?
C18 Si1 C30 C31 -35.5(3) . . . . ?
C24 Si1 C30 C31 84.7(3) . . . . ?
C17 Si1 C30 C31 -156.9(3) . . . . ?
C35 C30 C31 C32 0.0(7) . . . . ?
Si1 C30 C31 C32 -176.6(4) . . . . ?
C30 C31 C32 C33 -2.5(9) . . . . ?
C31 C32 C33 C34 3.3(9) . . . . ?
C32 C33 C34 C35 -1.6(9) . . . . ?
C31 C30 C35 C34 1.8(6) . . . . ?
Si1 C30 C35 C34 178.2(4) . . . . ?
C33 C34 C35 C30 -1.0(8) . . . . ?

_refine_diff_density_max         0.181
_refine_diff_density_min         -0.132
_refine_diff_density_rms         0.038



####################################################################### 
# 
# 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_ta_a
_database_code_depnum_ccdc_archive 'CCDC 2106907'
loop_
_audit_author_name
_audit_author_address
'qinglong shi'
;shanghai jiaotong university
China
;
_audit_update_record             
;
2021-09-01 deposited with the CCDC.	2023-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H30 O2 Si'
_chemical_formula_sum            'C28 H30 O2 Si'
_chemical_formula_weight         426.61

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'

_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'

_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+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.6379(4)
_cell_length_b                   11.7392(5)
_cell_length_c                   21.0292(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2379.27(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    9717
_cell_measurement_theta_min      4.20
_cell_measurement_theta_max      68.19

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.191
_exptl_crystal_F_000             912
_exptl_transmission_factor_min   0.6833
_exptl_transmission_factor_max   0.7531
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    1.028
_shelx_estimated_absorpt_T_min   0.821
_shelx_estimated_absorpt_T_max   0.853
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18832
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         4.204
_diffrn_reflns_theta_max         68.396
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4346
_reflns_number_gt                3883
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.751
_reflns_Friedel_fraction_max     0.991
_reflns_Friedel_fraction_full    0.997

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0758P)²+0.3597P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1466 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.033(14)
_chemical_absolute_configuration AD
_refine_ls_number_reflns         4346
_refine_ls_number_parameters     280
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0473
_refine_ls_wR_factor_ref         0.1302
_refine_ls_wR_factor_gt          0.1221
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.27070(9) 0.52303(7) 0.37338(4) 0.0517(2) Uani 1 1 d . . . . .
C1 C 0.3260(4) 0.8754(3) 0.42330(17) 0.0578(8) Uani 1 1 d . . . . .
O1 O 0.4990(3) 0.7466(2) 0.37884(19) 0.0964(11) Uani 1 1 d . . . . .
C3 C 0.1687(7) 0.9580(9) 0.4985(4) 0.161(4) Uani 1 1 d D . . . .
H3A H 0.156249 1.038907 0.491201 0.193 Uiso 1 1 calc R U . . .
H3B H 0.090744 0.931023 0.523499 0.193 Uiso 1 1 calc R U . . .
O2 O 0.7036(4) 0.8119(4) 0.3565(3) 0.167(2) Uani 1 1 d . . . . .
C2 C 0.1710(5) 0.8981(4) 0.4371(2) 0.0841(12) Uani 1 1 d . . . . .
H2A H 0.130289 0.944828 0.404009 0.101 Uiso 1 1 calc R U . . .
H2B H 0.119953 0.827016 0.439772 0.101 Uiso 1 1 calc R U . . .
C4 C 0.2907(7) 0.9402(8) 0.5320(3) 0.146(3) Uani 1 1 d D . . . .
H4A H 0.272264 0.894130 0.569309 0.176 Uiso 1 1 calc R U . . .
H4B H 0.328560 1.012592 0.545811 0.176 Uiso 1 1 calc R U . . .
C6 C 0.3816(5) 0.9694(3) 0.3788(2) 0.0763(10) Uani 1 1 d . . . . .
H6A H 0.320533 0.975900 0.342299 0.092 Uiso 1 1 calc R U . . .
H6B H 0.380157 1.041607 0.401149 0.092 Uiso 1 1 calc R U . . .
C5 C 0.3917(4) 0.8812(4) 0.49014(18) 0.0710(10) Uani 1 1 d . . . . .
H5A H 0.410257 0.805096 0.505962 0.085 Uiso 1 1 calc R U . . .
H5B H 0.478416 0.923069 0.488700 0.085 Uiso 1 1 calc R U . . .
C7 C 0.5256(5) 0.9465(4) 0.3561(3) 0.0893(14) Uani 1 1 d . . . . .
H7A H 0.528638 0.964320 0.311072 0.107 Uiso 1 1 calc R U . . .
H7B H 0.586757 0.999905 0.377375 0.107 Uiso 1 1 calc R U . . .
C8 C 0.5838(5) 0.8335(4) 0.3643(3) 0.0914(14) Uani 1 1 d . . . . .
C9 C 0.3516(4) 0.7631(3) 0.38952(17) 0.0623(9) Uani 1 1 d . . . . .
H9 H 0.305847 0.766627 0.347947 0.075 Uiso 1 1 calc R U . . .
C10 C 0.3054(4) 0.6546(3) 0.42217(17) 0.0604(9) Uani 1 1 d . . . . .
H10A H 0.221141 0.671982 0.445497 0.073 Uiso 1 1 calc R U . . .
H10B H 0.375613 0.635211 0.453363 0.073 Uiso 1 1 calc R U . . .
C11 C 0.4256(4) 0.4435(3) 0.34176(15) 0.0532(7) Uani 1 1 d . . . . .
C12 C 0.5568(4) 0.4903(4) 0.33319(17) 0.0658(9) Uani 1 1 d . . . . .
H12 H 0.571277 0.566694 0.342940 0.079 Uiso 1 1 calc R U . . .
C13 C 0.6670(4) 0.4254(4) 0.3103(2) 0.0791(12) Uani 1 1 d . . . . .
H13 H 0.754115 0.458488 0.305730 0.095 Uiso 1 1 calc R U . . .
C14 C 0.6486(5) 0.3137(4) 0.29457(19) 0.0767(12) Uani 1 1 d . . . . .
H14 H 0.722610 0.270842 0.279324 0.092 Uiso 1 1 calc R U . . .
C15 C 0.5205(6) 0.2650(4) 0.3013(2) 0.0820(13) Uani 1 1 d . . . . .
H15 H 0.506942 0.189246 0.290038 0.098 Uiso 1 1 calc R U . . .
C16 C 0.4107(5) 0.3287(3) 0.3251(2) 0.0719(10) Uani 1 1 d . . . . .
H16 H 0.324635 0.293995 0.330042 0.086 Uiso 1 1 calc R U . . .
C17 C 0.1519(3) 0.5624(3) 0.30625(16) 0.0539(8) Uani 1 1 d . . . . .
C18 C 0.1641(4) 0.5140(3) 0.24626(16) 0.0643(9) Uani 1 1 d . . . . .
H18 H 0.234809 0.461863 0.238614 0.077 Uiso 1 1 calc R U . . .
C19 C 0.0739(5) 0.5417(4) 0.1977(2) 0.0802(12) Uani 1 1 d . . . . .
H19 H 0.084512 0.508172 0.157902 0.096 Uiso 1 1 calc R U . . .
C20 C -0.0311(5) 0.6180(5) 0.2076(2) 0.0865(13) Uani 1 1 d . . . . .
H20 H -0.090963 0.636913 0.174594 0.104 Uiso 1 1 calc R U . . .
C21 C -0.0479(5) 0.6666(4) 0.2666(3) 0.0861(13) Uani 1 1 d . . . . .
H21 H -0.119929 0.717628 0.273934 0.103 Uiso 1 1 calc R U . . .
C22 C 0.0432(4) 0.6390(4) 0.3149(2) 0.0735(10) Uani 1 1 d . . . . .
H22 H 0.031562 0.672775 0.354519 0.088 Uiso 1 1 calc R U . . .
C23 C 0.1759(4) 0.4223(3) 0.42761(18) 0.0604(8) Uani 1 1 d . . . . .
C24 C 0.0649(6) 0.3587(5) 0.4067(2) 0.0956(15) Uani 1 1 d . . . . .
H24 H 0.033884 0.367579 0.365121 0.115 Uiso 1 1 calc R U . . .
C25 C -0.0015(8) 0.2822(6) 0.4462(3) 0.129(3) Uani 1 1 d . . . . .
H25 H -0.074859 0.239124 0.430374 0.155 Uiso 1 1 calc R U . . .
C26 C 0.0383(7) 0.2686(5) 0.5076(3) 0.108(2) Uani 1 1 d . . . . .
H26 H -0.008142 0.217768 0.533964 0.129 Uiso 1 1 calc R U . . .
C27 C 0.1469(6) 0.3305(5) 0.5299(2) 0.0930(16) Uani 1 1 d . . . . .
H27 H 0.175504 0.321519 0.571841 0.112 Uiso 1 1 calc R U . . .
C28 C 0.2156(5) 0.4068(4) 0.4906(2) 0.0742(11) Uani 1 1 d . . . . .
H28 H 0.289637 0.448599 0.506757 0.089 Uiso 1 1 calc R U . . .


_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 C17 1.875(4) . ?
Si1 C23 1.880(4) . ?
Si1 C11 1.882(3) . ?
Si1 C10 1.884(4) . ?
C1 C9 1.518(5) . ?
C1 C6 1.543(5) . ?
C1 C5 1.543(5) . ?
C1 C2 1.544(6) . ?
O1 C8 1.343(5) . ?
O1 C9 1.451(5) . ?
C3 C4 1.386(9) . ?
C3 C2 1.469(8) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
O2 C8 1.193(6) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C4 C5 1.483(7) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C6 C7 1.492(6) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C7 C8 1.450(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C9 C10 1.514(5) . ?
C9 H9 0.9800 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.390(5) . ?
C11 C16 1.400(5) . ?
C12 C13 1.394(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.364(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.367(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.388(6) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.388(5) . ?
C17 C22 1.393(5) . ?
C18 C19 1.381(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.367(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.375(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.380(6) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.377(6) . ?
C23 C28 1.391(6) . ?
C24 C25 1.380(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.356(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.358(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.387(6) . ?
C27 H27 0.9300 . ?
C28 H28 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
C17 Si1 C23 108.36(17) . . ?
C17 Si1 C11 109.91(15) . . ?
C23 Si1 C11 106.71(15) . . ?
C17 Si1 C10 108.44(16) . . ?
C23 Si1 C10 105.77(16) . . ?
C11 Si1 C10 117.28(16) . . ?
C9 C1 C6 106.3(3) . . ?
C9 C1 C5 113.4(3) . . ?
C6 C1 C5 112.2(3) . . ?
C9 C1 C2 113.3(3) . . ?
C6 C1 C2 109.1(4) . . ?
C5 C1 C2 102.6(3) . . ?
C8 O1 C9 122.0(3) . . ?
C4 C3 C2 111.1(5) . . ?
C4 C3 H3A 109.4 . . ?
C2 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
C2 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C3 C2 C1 105.2(4) . . ?
C3 C2 H2A 110.7 . . ?
C1 C2 H2A 110.7 . . ?
C3 C2 H2B 110.7 . . ?
C1 C2 H2B 110.7 . . ?
H2A C2 H2B 108.8 . . ?
C3 C4 C5 109.0(5) . . ?
C3 C4 H4A 109.9 . . ?
C5 C4 H4A 109.9 . . ?
C3 C4 H4B 109.9 . . ?
C5 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
C7 C6 C1 112.9(3) . . ?
C7 C6 H6A 109.0 . . ?
C1 C6 H6A 109.0 . . ?
C7 C6 H6B 109.0 . . ?
C1 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
C4 C5 C1 106.9(4) . . ?
C4 C5 H5A 110.3 . . ?
C1 C5 H5A 110.3 . . ?
C4 C5 H5B 110.3 . . ?
C1 C5 H5B 110.3 . . ?
H5A C5 H5B 108.6 . . ?
C8 C7 C6 119.1(4) . . ?
C8 C7 H7A 107.5 . . ?
C6 C7 H7A 107.5 . . ?
C8 C7 H7B 107.5 . . ?
C6 C7 H7B 107.5 . . ?
H7A C7 H7B 107.0 . . ?
O2 C8 O1 117.3(4) . . ?
O2 C8 C7 123.5(4) . . ?
O1 C8 C7 119.1(4) . . ?
O1 C9 C10 104.2(3) . . ?
O1 C9 C1 110.3(3) . . ?
C10 C9 C1 118.1(3) . . ?
O1 C9 H9 107.9 . . ?
C10 C9 H9 107.9 . . ?
C1 C9 H9 107.9 . . ?
C9 C10 Si1 119.7(2) . . ?
C9 C10 H10A 107.4 . . ?
Si1 C10 H10A 107.4 . . ?
C9 C10 H10B 107.4 . . ?
Si1 C10 H10B 107.4 . . ?
H10A C10 H10B 106.9 . . ?
C12 C11 C16 116.2(3) . . ?
C12 C11 Si1 124.8(3) . . ?
C16 C11 Si1 119.0(3) . . ?
C11 C12 C13 121.4(4) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 H12 119.3 . . ?
C14 C13 C12 120.7(4) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 119.6(4) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C14 C15 C16 120.0(4) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C11 122.0(4) . . ?
C15 C16 H16 119.0 . . ?
C11 C16 H16 119.0 . . ?
C18 C17 C22 116.5(3) . . ?
C18 C17 Si1 122.1(3) . . ?
C22 C17 Si1 121.4(3) . . ?
C19 C18 C17 121.5(4) . . ?
C19 C18 H18 119.2 . . ?
C17 C18 H18 119.2 . . ?
C20 C19 C18 120.5(4) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 119.8(4) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C20 C21 C22 119.4(4) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C21 C22 C17 122.3(4) . . ?
C21 C22 H22 118.9 . . ?
C17 C22 H22 118.9 . . ?
C24 C23 C28 116.6(4) . . ?
C24 C23 Si1 121.7(3) . . ?
C28 C23 Si1 121.8(3) . . ?
C23 C24 C25 121.4(5) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C26 C25 C24 121.2(6) . . ?
C26 C25 H25 119.4 . . ?
C24 C25 H25 119.4 . . ?
C25 C26 C27 119.0(5) . . ?
C25 C26 H26 120.5 . . ?
C27 C26 H26 120.5 . . ?
C26 C27 C28 120.5(5) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C27 C28 C23 121.4(5) . . ?
C27 C28 H28 119.3 . . ?
C23 C28 H28 119.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 C3 C2 C1 -20.1(10) . . . . ?
C9 C1 C2 C3 144.9(6) . . . . ?
C6 C1 C2 C3 -96.9(6) . . . . ?
C5 C1 C2 C3 22.3(6) . . . . ?
C2 C3 C4 C5 8.8(11) . . . . ?
C9 C1 C6 C7 -50.2(5) . . . . ?
C5 C1 C6 C7 74.4(5) . . . . ?
C2 C1 C6 C7 -172.6(4) . . . . ?
C3 C4 C5 C1 6.3(9) . . . . ?
C9 C1 C5 C4 -140.1(5) . . . . ?
C6 C1 C5 C4 99.4(5) . . . . ?
C2 C1 C5 C4 -17.6(6) . . . . ?
C1 C6 C7 C8 14.2(7) . . . . ?
C9 O1 C8 O2 179.8(6) . . . . ?
C9 O1 C8 C7 -2.9(8) . . . . ?
C6 C7 C8 O2 -168.4(7) . . . . ?
C6 C7 C8 O1 14.5(8) . . . . ?
C8 O1 C9 C10 -164.3(5) . . . . ?
C8 O1 C9 C1 -36.6(6) . . . . ?
C6 C1 C9 O1 61.0(4) . . . . ?
C5 C1 C9 O1 -62.8(4) . . . . ?
C2 C1 C9 O1 -179.2(3) . . . . ?
C6 C1 C9 C10 -179.3(4) . . . . ?
C5 C1 C9 C10 56.9(4) . . . . ?
C2 C1 C9 C10 -59.5(5) . . . . ?
O1 C9 C10 Si1 -80.3(4) . . . . ?
C1 C9 C10 Si1 156.9(3) . . . . ?
C17 Si1 C10 C9 -50.4(3) . . . . ?
C23 Si1 C10 C9 -166.5(3) . . . . ?
C11 Si1 C10 C9 74.7(3) . . . . ?
C17 Si1 C11 C12 102.4(3) . . . . ?
C23 Si1 C11 C12 -140.3(3) . . . . ?
C10 Si1 C11 C12 -22.0(4) . . . . ?
C17 Si1 C11 C16 -77.4(3) . . . . ?
C23 Si1 C11 C16 39.9(3) . . . . ?
C10 Si1 C11 C16 158.2(3) . . . . ?
C16 C11 C12 C13 -1.1(6) . . . . ?
Si1 C11 C12 C13 179.1(3) . . . . ?
C11 C12 C13 C14 1.1(6) . . . . ?
C12 C13 C14 C15 0.0(7) . . . . ?
C13 C14 C15 C16 -1.0(7) . . . . ?
C14 C15 C16 C11 1.0(7) . . . . ?
C12 C11 C16 C15 0.0(6) . . . . ?
Si1 C11 C16 C15 179.9(3) . . . . ?
C23 Si1 C17 C18 -102.1(3) . . . . ?
C11 Si1 C17 C18 14.2(4) . . . . ?
C10 Si1 C17 C18 143.6(3) . . . . ?
C23 Si1 C17 C22 75.6(3) . . . . ?
C11 Si1 C17 C22 -168.1(3) . . . . ?
C10 Si1 C17 C22 -38.8(3) . . . . ?
C22 C17 C18 C19 0.6(6) . . . . ?
Si1 C17 C18 C19 178.4(3) . . . . ?
C17 C18 C19 C20 -0.1(7) . . . . ?
C18 C19 C20 C21 -0.7(8) . . . . ?
C19 C20 C21 C22 1.0(8) . . . . ?
C20 C21 C22 C17 -0.5(7) . . . . ?
C18 C17 C22 C21 -0.3(6) . . . . ?
Si1 C17 C22 C21 -178.1(4) . . . . ?
C17 Si1 C23 C24 22.4(4) . . . . ?
C11 Si1 C23 C24 -96.0(4) . . . . ?
C10 Si1 C23 C24 138.5(4) . . . . ?
C17 Si1 C23 C28 -158.6(3) . . . . ?
C11 Si1 C23 C28 83.1(3) . . . . ?
C10 Si1 C23 C28 -42.5(4) . . . . ?
C28 C23 C24 C25 -1.2(7) . . . . ?
Si1 C23 C24 C25 177.9(5) . . . . ?
C23 C24 C25 C26 1.6(10) . . . . ?
C24 C25 C26 C27 -1.1(10) . . . . ?
C25 C26 C27 C28 0.4(9) . . . . ?
C26 C27 C28 C23 -0.2(7) . . . . ?
C24 C23 C28 C27 0.6(6) . . . . ?
Si1 C23 C28 C27 -178.6(3) . . . . ?

_refine_diff_density_max         0.200
_refine_diff_density_min         -0.230
_refine_diff_density_rms         0.041

