# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_CU-ORTH-FULL4-NO14_a_a
_database_code_depnum_ccdc_archive 'CCDC 2204708'
loop_
_audit_author_name
_audit_author_address
XZ-C-R
;Westlake University
China
;
_audit_update_record             
;
2022-09-01 deposited with the CCDC.	2022-11-27 downloaded from the CCDC.
;
_audit_creation_method           
;
FinalCif V85 by Daniel Kratzert, Freiburg 2022,
https://github.com/dkratzert/FinalCif
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C28 H36 O Si'
_chemical_formula_moiety         ?
_chemical_formula_weight         416.66
_chemical_melting_point          ?
_chemical_absolute_configuration ?
_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                   7.2879(5)
_cell_length_b                   8.1290(6)
_cell_length_c                   41.692(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2470.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9921
_cell_measurement_theta_min      4.24
_cell_measurement_theta_max      66.30
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.120
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.942
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.910
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   0.912
_shelx_estimated_absorpt_T_max   0.928
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_monochromator  ?
_diffrn_radiation_probe          ?
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_detector                 ?
_diffrn_detector_type            ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_device       ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_measurement_specimen_support ?
_diffrn_reflns_number            60775
_diffrn_reflns_av_unetI/netI     0.0462
_diffrn_reflns_av_R_equivalents  0.0732
_diffrn_reflns_theta_min         4.241
_diffrn_reflns_theta_max         74.907
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_limit_l_max       52
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5059
_reflns_number_gt                3311
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.718
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    1.000
_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 (G. Sheldrick)'
_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)+(0.0771P)²+0.5884P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5059
_refine_ls_number_parameters     498
_refine_ls_number_restraints     849
_refine_ls_R_factor_all          0.0891
_refine_ls_R_factor_gt           0.0666
_refine_ls_wR_factor_ref         0.1909
_refine_ls_wR_factor_gt          0.1704
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.257
_refine_diff_density_min         -0.280
_refine_diff_density_rms         0.037
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_abs_structure_details 
;
 Flack x determined using 1093 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;

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'

_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_
_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
C15 C 0.6856(9) 0.4702(6) 0.36569(14) 0.1093(14) Uani 1 1 d . U . . .
C18 C 0.8447(10) 0.4130(7) 0.37409(13) 0.1147(15) Uani 1 1 d . U . . .
C19 C 1.0081(10) 0.3615(9) 0.38135(14) 0.1272(17) Uani 1 1 d . U . . .
H19 H 1.093556 0.439902 0.389263 0.153 Uiso 1 1 calc R U . . .
C20 C 1.0702(11) 0.1896(9) 0.37816(17) 0.147(2) Uani 1 1 d . U . . .
H20A H 1.188194 0.188336 0.366395 0.177 Uiso 1 1 calc R U . . .
H20B H 0.979479 0.128350 0.365144 0.177 Uiso 1 1 calc R U . . .
C21 C 1.0960(8) 0.0999(9) 0.41035(15) 0.139(2) Uani 1 1 d . U . . .
H21A H 1.147033 -0.009785 0.406460 0.209 Uiso 1 1 calc R U . . .
H21B H 0.977077 0.089568 0.421140 0.209 Uiso 1 1 calc R U . . .
H21C H 1.180217 0.162929 0.423945 0.209 Uiso 1 1 calc R U . . .
C1 C 0.4960(10) 0.0379(11) 0.4967(2) 0.0928(17) Uani 0.774(4) 1 d . U P A 1
C2 C 0.4505(11) 0.0324(13) 0.5297(2) 0.103(2) Uani 0.774(4) 1 d . U P A 1
H2 H 0.399750 0.126510 0.539868 0.123 Uiso 0.774(4) 1 calc R U P A 1
C3 C 0.4806(12) -0.1127(15) 0.5474(2) 0.105(2) Uani 0.774(4) 1 d . U P A 1
H3 H 0.448626 -0.118172 0.569423 0.126 Uiso 0.774(4) 1 calc R U P A 1
C4 C 0.5575(13) -0.2474(16) 0.53207(17) 0.098(2) Uani 0.774(4) 1 d . U P A 1
H4 H 0.579601 -0.345463 0.543832 0.117 Uiso 0.774(4) 1 calc R U P A 1
C5 C 0.6027(10) -0.2406(12) 0.4997(2) 0.0914(19) Uani 0.774(4) 1 d . U P A 1
H5 H 0.656488 -0.333878 0.489728 0.110 Uiso 0.774(4) 1 calc R U P A 1
C6 C 0.5705(10) -0.0994(14) 0.48175(16) 0.0901(16) Uani 0.774(4) 1 d . U P A 1
C7 C 0.6101(7) -0.0687(7) 0.44694(13) 0.0874(13) Uani 0.774(4) 1 d . U P A 1
H7A H 0.741054 -0.087915 0.441906 0.105 Uiso 0.774(4) 1 calc R U P A 1
H7B H 0.533208 -0.139011 0.432967 0.105 Uiso 0.774(4) 1 calc R U P A 1
C8 C 0.5611(8) 0.1074(9) 0.44348(18) 0.0887(15) Uani 0.774(4) 1 d . U P A 1
C9 C 0.4890(12) 0.1704(9) 0.4721(2) 0.0924(18) Uani 0.774(4) 1 d . U P A 1
C10 C 0.5765(9) 0.2121(10) 0.41678(18) 0.0916(16) Uani 0.774(4) 1 d . U P A 1
H10 H 0.626695 0.171970 0.397271 0.110 Uiso 0.774(4) 1 calc R U P A 1
C11 C 0.5185(12) 0.3737(9) 0.4190(3) 0.0986(19) Uani 0.774(4) 1 d . U P A 1
C12 C 0.4446(9) 0.4318(10) 0.44801(18) 0.1004(16) Uani 0.774(4) 1 d . U P A 1
H12 H 0.401281 0.541861 0.449246 0.120 Uiso 0.774(4) 1 calc R U P A 1
C13 C 0.4338(8) 0.3325(9) 0.47462(17) 0.1015(16) Uani 0.774(4) 1 d . U P A 1
H13 H 0.389190 0.374614 0.494392 0.122 Uiso 0.774(4) 1 calc R U P A 1
C14 C 0.5288(13) 0.4830(15) 0.3917(3) 0.103(2) Uani 0.774(4) 1 d . U P A 1
O1 O 0.4143(15) 0.5974(9) 0.3883(3) 0.126(3) Uani 0.774(4) 1 d . U P A 1
C16 C 0.4214(11) 0.5014(9) 0.31006(17) 0.130(2) Uani 0.774(4) 1 d D U P A 1
H16 H 0.336307 0.553104 0.325936 0.155 Uiso 0.774(4) 1 calc R U P A 1
C17 C 0.3737(16) 0.5790(18) 0.2775(2) 0.200(5) Uani 0.774(4) 1 d D U P A 1
H17A H 0.400748 0.697043 0.278083 0.300 Uiso 0.774(4) 1 calc R U P A 1
H17B H 0.446932 0.526762 0.260593 0.300 Uiso 0.774(4) 1 calc R U P A 1
H17C H 0.242969 0.562654 0.272972 0.300 Uiso 0.774(4) 1 calc R U P A 1
C22 C 0.7228(13) 0.7743(10) 0.3235(3) 0.158(3) Uani 0.774(4) 1 d D U P A 1
H22 H 0.709227 0.811129 0.300783 0.190 Uiso 0.774(4) 1 calc R U P A 1
C23 C 0.9258(14) 0.8040(11) 0.3327(3) 0.199(5) Uani 0.774(4) 1 d D U P A 1
H23A H 1.004908 0.734357 0.319367 0.298 Uiso 0.774(4) 1 calc R U P A 1
H23B H 0.956832 0.919858 0.329092 0.298 Uiso 0.774(4) 1 calc R U P A 1
H23C H 0.944307 0.776600 0.355329 0.298 Uiso 0.774(4) 1 calc R U P A 1
C24 C 0.8403(12) 0.4492(9) 0.29780(16) 0.136(2) Uani 0.774(4) 1 d D U P A 1
H24 H 0.960711 0.477989 0.307860 0.163 Uiso 0.774(4) 1 calc R U P A 1
C25 C 0.8356(14) 0.2616(10) 0.2975(2) 0.134(3) Uani 0.774(4) 1 d D U P A 1
H25A H 0.827587 0.220693 0.319603 0.202 Uiso 0.774(4) 1 calc R U P A 1
H25B H 0.728453 0.223996 0.285359 0.202 Uiso 0.774(4) 1 calc R U P A 1
H25C H 0.947652 0.219448 0.287466 0.202 Uiso 0.774(4) 1 calc R U P A 1
C26 C 0.3842(19) 0.3150(12) 0.3119(4) 0.154(5) Uani 0.774(4) 1 d D U P A 1
H26A H 0.417670 0.274260 0.333202 0.231 Uiso 0.774(4) 1 calc R U P A 1
H26B H 0.253690 0.294111 0.307969 0.231 Uiso 0.774(4) 1 calc R U P A 1
H26C H 0.457653 0.258220 0.295589 0.231 Uiso 0.774(4) 1 calc R U P A 1
C27 C 0.8529(16) 0.5161(17) 0.26339(18) 0.189(4) Uani 0.774(4) 1 d D U P A 1
H27A H 0.855834 0.636620 0.263935 0.284 Uiso 0.774(4) 1 calc R U P A 1
H27B H 0.965024 0.474927 0.253204 0.284 Uiso 0.774(4) 1 calc R U P A 1
H27C H 0.745826 0.479476 0.251097 0.284 Uiso 0.774(4) 1 calc R U P A 1
C28 C 0.591(2) 0.8781(12) 0.3432(3) 0.193(5) Uani 0.774(4) 1 d D U P A 1
H28A H 0.464446 0.854699 0.336463 0.290 Uiso 0.774(4) 1 calc R U P A 1
H28B H 0.604865 0.851705 0.365968 0.290 Uiso 0.774(4) 1 calc R U P A 1
H28C H 0.617390 0.994963 0.339731 0.290 Uiso 0.774(4) 1 calc R U P A 1
Si1 Si 0.6606(5) 0.5526(4) 0.32428(12) 0.1145(9) Uani 0.774(4) 1 d D U P A 1
C1A C 0.533(4) -0.021(5) 0.4895(8) 0.090(3) Uani 0.226(4) 1 d . U P A 2
C2A C 0.586(5) -0.176(5) 0.4924(9) 0.093(3) Uani 0.226(4) 1 d . U P A 2
H2A H 0.628464 -0.236343 0.474341 0.111 Uiso 0.226(4) 1 calc R U P A 2
C3A C 0.576(5) -0.246(6) 0.5215(10) 0.098(4) Uani 0.226(4) 1 d . U P A 2
H3A H 0.611208 -0.357166 0.525052 0.117 Uiso 0.226(4) 1 calc R U P A 2
C4A C 0.519(5) -0.160(5) 0.5431(11) 0.099(4) Uani 0.226(4) 1 d . U P A 2
H4A H 0.519549 -0.213745 0.563338 0.119 Uiso 0.226(4) 1 calc R U P A 2
C5A C 0.454(4) -0.001(5) 0.5443(7) 0.095(4) Uani 0.226(4) 1 d . U P A 2
H5A H 0.407290 0.047996 0.563347 0.114 Uiso 0.226(4) 1 calc R U P A 2
C6A C 0.463(4) 0.078(4) 0.5160(9) 0.093(3) Uani 0.226(4) 1 d . U P A 2
C7A C 0.439(3) 0.248(3) 0.5013(5) 0.095(3) Uani 0.226(4) 1 d . U P A 2
H7AA H 0.309562 0.283974 0.502934 0.114 Uiso 0.226(4) 1 calc R U P A 2
H7AB H 0.517637 0.328889 0.512456 0.114 Uiso 0.226(4) 1 calc R U P A 2
C8A C 0.494(5) 0.231(4) 0.4676(9) 0.092(3) Uani 0.226(4) 1 d . U P A 2
C9A C 0.551(3) 0.079(4) 0.4593(6) 0.090(3) Uani 0.226(4) 1 d . U P A 2
C10A C 0.493(3) 0.361(3) 0.4422(7) 0.095(3) Uani 0.226(4) 1 d . U P A 2
H10A H 0.450876 0.469325 0.446877 0.114 Uiso 0.226(4) 1 calc R U P A 2
C11A C 0.551(5) 0.324(5) 0.4138(9) 0.098(3) Uani 0.226(4) 1 d . U P A 2
C12A C 0.616(3) 0.160(3) 0.4061(6) 0.095(3) Uani 0.226(4) 1 d . U P A 2
H12A H 0.662733 0.136293 0.385375 0.114 Uiso 0.226(4) 1 calc R U P A 2
C13A C 0.610(3) 0.041(3) 0.4292(6) 0.094(3) Uani 0.226(4) 1 d . U P A 2
H13A H 0.647911 -0.068369 0.424312 0.113 Uiso 0.226(4) 1 calc R U P A 2
C14A C 0.585(5) 0.469(5) 0.3849(11) 0.107(4) Uani 0.226(4) 1 d . U P A 2
O1A O 0.444(5) 0.540(3) 0.3895(9) 0.108(6) Uani 0.226(4) 1 d . U P A 2
C16A C 0.571(3) 0.399(2) 0.2982(6) 0.130(4) Uani 0.226(4) 1 d D U P A 2
H16A H 0.563714 0.451464 0.276456 0.155 Uiso 0.226(4) 1 calc R U P A 2
C17A C 0.731(4) 0.277(4) 0.2944(9) 0.141(7) Uani 0.226(4) 1 d D U P A 2
H17D H 0.846231 0.337533 0.291991 0.211 Uiso 0.226(4) 1 calc R U P A 2
H17E H 0.737749 0.206312 0.313420 0.211 Uiso 0.226(4) 1 calc R U P A 2
H17F H 0.710492 0.208502 0.275335 0.211 Uiso 0.226(4) 1 calc R U P A 2
C22A C 0.449(3) 0.742(2) 0.3249(6) 0.156(6) Uani 0.226(4) 1 d D U P A 2
H22A H 0.348106 0.679253 0.335468 0.188 Uiso 0.226(4) 1 calc R U P A 2
C23A C 0.350(6) 0.781(5) 0.2939(7) 0.200(10) Uani 0.226(4) 1 d D U P A 2
H23D H 0.349457 0.682833 0.280148 0.300 Uiso 0.226(4) 1 calc R U P A 2
H23E H 0.223400 0.813051 0.298673 0.300 Uiso 0.226(4) 1 calc R U P A 2
H23F H 0.412773 0.870832 0.282842 0.300 Uiso 0.226(4) 1 calc R U P A 2
C24A C 0.862(2) 0.661(3) 0.3170(5) 0.145(4) Uani 0.226(4) 1 d D U P A 2
H24A H 0.890254 0.746818 0.333370 0.174 Uiso 0.226(4) 1 calc R U P A 2
C25A C 1.006(4) 0.523(4) 0.3194(10) 0.210(10) Uani 0.226(4) 1 d D U P A 2
H25D H 0.998828 0.471104 0.340579 0.315 Uiso 0.226(4) 1 calc R U P A 2
H25E H 0.982466 0.440079 0.302782 0.315 Uiso 0.226(4) 1 calc R U P A 2
H25F H 1.128862 0.569397 0.316301 0.315 Uiso 0.226(4) 1 calc R U P A 2
C26A C 0.380(4) 0.325(5) 0.3022(12) 0.132(8) Uani 0.226(4) 1 d D U P A 2
H26D H 0.289181 0.413691 0.304340 0.198 Uiso 0.226(4) 1 calc R U P A 2
H26E H 0.349876 0.258180 0.283329 0.198 Uiso 0.226(4) 1 calc R U P A 2
H26F H 0.377134 0.255989 0.321414 0.198 Uiso 0.226(4) 1 calc R U P A 2
C27A C 0.880(5) 0.737(5) 0.2832(7) 0.179(9) Uani 0.226(4) 1 d D U P A 2
H27D H 0.789961 0.825628 0.280769 0.268 Uiso 0.226(4) 1 calc R U P A 2
H27E H 1.003956 0.781499 0.280501 0.268 Uiso 0.226(4) 1 calc R U P A 2
H27F H 0.857560 0.652182 0.266982 0.268 Uiso 0.226(4) 1 calc R U P A 2
C28A C 0.464(4) 0.876(3) 0.3490(7) 0.149(8) Uani 0.226(4) 1 d D U P A 2
H28D H 0.531104 0.836039 0.367796 0.223 Uiso 0.226(4) 1 calc R U P A 2
H28E H 0.530541 0.969421 0.339565 0.223 Uiso 0.226(4) 1 calc R U P A 2
H28F H 0.341168 0.911641 0.355396 0.223 Uiso 0.226(4) 1 calc R U P A 2
Si1A Si 0.620(2) 0.5773(17) 0.3247(5) 0.133(3) Uani 0.226(4) 1 d D U P A 2


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
C15 C14A 1.08(4) . ?
C15 C18 1.298(8) . ?
C15 C14 1.580(10) . ?
C15 Si1 1.861(8) . ?
C15 Si1A 1.98(2) . ?
C18 C19 1.298(9) . ?
C18 C14A 2.00(4) . ?
C19 C20 1.475(9) . ?
C20 C21 1.539(9) . ?
C1 C6 1.389(10) . ?
C1 C2 1.414(11) . ?
C1 C9 1.488(11) . ?
C2 C3 1.408(15) . ?
C3 C4 1.385(13) . ?
C4 C5 1.389(10) . ?
C5 C6 1.391(10) . ?
C6 C7 1.500(9) . ?
C7 C8 1.482(9) . ?
C8 C9 1.401(12) . ?
C8 C10 1.406(10) . ?
C9 C13 1.382(11) . ?
C10 C11 1.382(11) . ?
C11 C12 1.407(11) . ?
C11 C14 1.443(16) . ?
C12 C13 1.374(10) . ?
C14 O1 1.258(14) . ?
C16 C17 1.538(6) . ?
C16 C26 1.540(7) . ?
C16 Si1 1.888(8) . ?
C22 C28 1.520(6) . ?
C22 C23 1.546(6) . ?
C22 Si1 1.859(8) . ?
C24 C25 1.526(6) . ?
C24 C27 1.537(6) . ?
C24 Si1 1.908(8) . ?
C1A C2A 1.33(5) . ?
C1A C6A 1.46(4) . ?
C1A C9A 1.50(4) . ?
C2A C3A 1.34(5) . ?
C3A C4A 1.21(5) . ?
C4A C5A 1.38(5) . ?
C5A C6A 1.34(4) . ?
C6A C7A 1.52(4) . ?
C7A C8A 1.47(4) . ?
C8A C9A 1.34(5) . ?
C8A C10A 1.50(4) . ?
C9A C13A 1.36(3) . ?
C10A C11A 1.29(4) . ?
C11A C12A 1.45(4) . ?
C11A C14A 1.71(6) . ?
C12A C13A 1.37(3) . ?
C14A O1A 1.20(5) . ?
C16A C26A 1.527(14) . ?
C16A C17A 1.543(14) . ?
C16A Si1A 1.857(12) . ?
C22A C28A 1.487(14) . ?
C22A C23A 1.513(14) . ?
C22A Si1A 1.828(12) . ?
C24A C25A 1.540(14) . ?
C24A C27A 1.544(14) . ?
C24A Si1A 1.915(12) . ?

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
C14A C15 C18 113(2) . . ?
C18 C15 C14 119.0(7) . . ?
C18 C15 Si1 117.8(5) . . ?
C14 C15 Si1 122.9(6) . . ?
C14A C15 Si1A 119(2) . . ?
C18 C15 Si1A 127.4(7) . . ?
C19 C18 C15 176.7(7) . . ?
C19 C18 C14A 152.8(14) . . ?
C15 C18 C14A 29.9(13) . . ?
C18 C19 C20 124.5(7) . . ?
C19 C20 C21 114.1(6) . . ?
C6 C1 C2 120.2(8) . . ?
C6 C1 C9 106.6(8) . . ?
C2 C1 C9 133.2(10) . . ?
C3 C2 C1 119.9(8) . . ?
C4 C3 C2 118.9(9) . . ?
C3 C4 C5 120.8(10) . . ?
C4 C5 C6 121.0(9) . . ?
C1 C6 C5 119.2(6) . . ?
C1 C6 C7 112.1(8) . . ?
C5 C6 C7 128.8(8) . . ?
C8 C7 C6 102.0(6) . . ?
C9 C8 C10 118.9(7) . . ?
C9 C8 C7 111.1(7) . . ?
C10 C8 C7 130.0(7) . . ?
C13 C9 C8 121.5(8) . . ?
C13 C9 C1 130.4(9) . . ?
C8 C9 C1 108.1(8) . . ?
C11 C10 C8 119.9(7) . . ?
C10 C11 C12 119.5(9) . . ?
C10 C11 C14 121.2(8) . . ?
C12 C11 C14 119.3(7) . . ?
C13 C12 C11 121.3(8) . . ?
C12 C13 C9 118.8(7) . . ?
O1 C14 C11 120.7(9) . . ?
O1 C14 C15 116.7(10) . . ?
C11 C14 C15 122.5(9) . . ?
C17 C16 C26 114.0(10) . . ?
C17 C16 Si1 113.3(6) . . ?
C26 C16 Si1 111.3(7) . . ?
C28 C22 C23 112.8(10) . . ?
C28 C22 Si1 112.0(6) . . ?
C23 C22 Si1 112.4(6) . . ?
C25 C24 C27 110.4(8) . . ?
C25 C24 Si1 115.4(6) . . ?
C27 C24 Si1 115.2(6) . . ?
C22 Si1 C15 109.9(4) . . ?
C22 Si1 C16 115.7(4) . . ?
C15 Si1 C16 107.6(3) . . ?
C22 Si1 C24 104.5(4) . . ?
C15 Si1 C24 108.1(3) . . ?
C16 Si1 C24 110.8(4) . . ?
C2A C1A C6A 124(3) . . ?
C2A C1A C9A 124(4) . . ?
C6A C1A C9A 112(3) . . ?
C1A C2A C3A 118(4) . . ?
C4A C3A C2A 116(4) . . ?
C3A C4A C5A 133(4) . . ?
C6A C5A C4A 113(4) . . ?
C5A C6A C1A 115(3) . . ?
C5A C6A C7A 141(4) . . ?
C1A C6A C7A 103(3) . . ?
C8A C7A C6A 106(2) . . ?
C9A C8A C7A 115(3) . . ?
C9A C8A C10A 118(3) . . ?
C7A C8A C10A 127(3) . . ?
C8A C9A C13A 123(3) . . ?
C8A C9A C1A 105(3) . . ?
C13A C9A C1A 132(3) . . ?
C11A C10A C8A 118(3) . . ?
C10A C11A C12A 122(4) . . ?
C10A C11A C14A 122(3) . . ?
C12A C11A C14A 116(3) . . ?
C13A C12A C11A 119(3) . . ?
C9A C13A C12A 120(3) . . ?
C15 C14A O1A 134(4) . . ?
C15 C14A C11A 129(3) . . ?
O1A C14A C11A 96(3) . . ?
C15 C14A C18 36.6(14) . . ?
O1A C14A C18 164(4) . . ?
C11A C14A C18 98(2) . . ?
C26A C16A C17A 116.5(19) . . ?
C26A C16A Si1A 114.8(16) . . ?
C17A C16A Si1A 114.7(14) . . ?
C28A C22A C23A 117.4(17) . . ?
C28A C22A Si1A 119.3(13) . . ?
C23A C22A Si1A 118.3(15) . . ?
C25A C24A C27A 107.0(17) . . ?
C25A C24A Si1A 111.1(15) . . ?
C27A C24A Si1A 112.0(14) . . ?
C22A Si1A C16A 116.1(8) . . ?
C22A Si1A C24A 111.6(8) . . ?
C16A Si1A C24A 110.7(8) . . ?
C22A Si1A C15 119.0(12) . . ?
C16A Si1A C15 102.7(10) . . ?
C24A Si1A C15 94.6(10) . . ?

