# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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 
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data_kr_98_m2
_database_code_depnum_ccdc_archive 'CCDC 2494308'
loop_
_audit_author_name
_audit_author_address
'Eunhye Lee'
;University of Illinois Chicago
United States of America
;
_audit_update_record             
;
2025-10-09 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;
_audit_creation_date             2025-07-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        2a
_chemical_formula_moiety         'C36 H44 O2 Si2'
_chemical_formula_sum            'C36 H44 O2 Si2'
_chemical_formula_weight         564.89
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.1779(6)
_cell_length_b                   17.3334(9)
_cell_length_c                   17.0876(9)
_cell_angle_alpha                90
_cell_angle_beta                 100.1000(10)
_cell_angle_gamma                90
_cell_volume                     3259.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9897
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      25.292
_cell_measurement_theta_min      2.350
_shelx_estimated_absorpt_T_max   0.970
_shelx_estimated_absorpt_T_min   0.965
_exptl_absorpt_coefficient_mu    0.138
_exptl_absorpt_correction_T_max  0.0511
_exptl_absorpt_correction_T_min  0.0215
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1122 before and 0.0870 after correction.
The Ratio of minimum to maximum transmission is 0.4207.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.151
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.262
_exptl_crystal_size_mid          0.224
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1247
_diffrn_reflns_av_unetI/netI     0.0653
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            88936
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.700
_diffrn_reflns_theta_min         2.192
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           20.0
_diffrn_source_power             1.0
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4890
_reflns_number_total             8408
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.521
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     418
_refine_ls_number_reflns         8408
_refine_ls_number_restraints     106
_refine_ls_R_factor_all          0.1530
_refine_ls_R_factor_gt           0.0856
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0593P)²+4.7280P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1703
_refine_ls_wR_factor_ref         0.2057
_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. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C1A \\sim C2A \\sim C3A: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C6 \\sim C7 \\sim C6A \\sim C7A: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
3. Same fragment restrains
{C6A, C7A} sigma for 1-2: 0.01, 1-3: 0.01
as in
{C6, C7}
{C1A, C2A, C3A} sigma for 1-2: 0.01, 1-3: 0.01
as in
{C1, C2, C3}
4. Others
 Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(H1AC)=Sof(C2A)=Sof(H2AA)=Sof(H2AB)=Sof(C3A)=
 Sof(H3AA)=Sof(H3AB)=1-FVAR(1)
 Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(H1C)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(C3)=Sof(H3A)=
 Sof(H3B)=FVAR(1)
 Sof(C6A)=Sof(H6AA)=Sof(H6AB)=Sof(H6AC)=Sof(C7A)=Sof(H7AA)=Sof(H7AB)=1-FVAR(2)
 Sof(C6)=Sof(H6A)=Sof(H6B)=Sof(H6C)=Sof(C7)=Sof(H7A)=Sof(H7B)=FVAR(2)
5.a Ternary CH refined with riding coordinates:
 C21(H21)
5.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C2(H2A,H2B), C3(H3A,H3B), C7(H7A,H7B), C2A(H2AA,H2AB), C3A(H3AA,
 H3AB), C7A(H7AA,H7AB)
5.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C9(H9), C17(H17), C18(H18), C19(H19), C20(H20), C24(H24), C25(H25),
 C26(H26), C27(H27), C31(H31)
5.d Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,
 H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C1(H1A,H1B,H1C), C6(H6A,H6B,
 H6C), C1A(H1AA,H1AB,H1AC), C6A(H6AA,H6AB,H6AC)
;
_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
C4 C 0.7070(4) 0.8040(3) 0.5828(2) 0.0656(11) Uani 1 1 d . . . . .
H4 H 0.678064 0.855614 0.577365 0.079 Uiso 1 1 calc R U . A 2
C5 C 0.6180(3) 0.7561(2) 0.59585(19) 0.0485(8) Uani 1 1 d . . . . .
C8 C 0.3283(4) 0.8839(2) 0.5781(3) 0.0728(13) Uani 1 1 d . . . . .
H8A H 0.269858 0.872816 0.528775 0.087 Uiso 1 1 calc R U . B 1
H8B H 0.296086 0.858967 0.622221 0.087 Uiso 1 1 calc R U . B 1
C9 C 0.4446(4) 0.8442(2) 0.5712(2) 0.0641(11) Uani 1 1 d . . . . .
H9 H 0.485473 0.863705 0.531050 0.077 Uiso 1 1 calc R U . . .
C10 C 0.4997(4) 0.7850(2) 0.6136(2) 0.0502(9) Uani 1 1 d . . . . .
C11 C 0.4406(3) 0.74234(19) 0.6751(2) 0.0451(8) Uani 1 1 d . . . . .
C12 C 0.6239(3) 0.67166(19) 0.59591(19) 0.0415(7) Uani 1 1 d . . . . .
C13 C 0.6712(3) 0.6179(2) 0.54085(19) 0.0426(8) Uani 1 1 d . . . . .
C14 C 0.6368(3) 0.53898(19) 0.56401(18) 0.0396(7) Uani 1 1 d . . . . .
C15 C 0.5667(3) 0.62972(18) 0.64522(18) 0.0386(7) Uani 1 1 d . . . . .
C16 C 0.5734(3) 0.54640(19) 0.62769(18) 0.0379(7) Uani 1 1 d . . . . .
C17 C 0.5285(3) 0.48270(19) 0.65977(19) 0.0419(7) Uani 1 1 d . . . . .
H17 H 0.484784 0.487447 0.702459 0.050 Uiso 1 1 calc R U . . .
C18 C 0.5485(3) 0.4103(2) 0.6281(2) 0.0456(8) Uani 1 1 d . . . . .
H18 H 0.518193 0.365481 0.650025 0.055 Uiso 1 1 calc R U . . .
C19 C 0.6113(3) 0.4026(2) 0.5657(2) 0.0461(8) Uani 1 1 d . . . . .
H19 H 0.624035 0.352832 0.545361 0.055 Uiso 1 1 calc R U . . .
C20 C 0.6561(3) 0.46821(19) 0.53241(19) 0.0427(8) Uani 1 1 d . . . . .
H20 H 0.698753 0.463768 0.489161 0.051 Uiso 1 1 calc R U . . .
C21 C 0.5108(3) 0.66572(19) 0.70900(19) 0.0412(7) Uani 1 1 d . . . . .
H21 H 0.447031 0.628896 0.720152 0.049 Uiso 1 1 calc R U . . .
C22 C 0.4138(3) 0.7928(2) 0.74430(19) 0.0436(8) Uani 1 1 d . . . . .
C23 C 0.3017(3) 0.7613(2) 0.7662(2) 0.0467(8) Uani 1 1 d . . . . .
C24 C 0.2527(3) 0.7701(2) 0.8350(2) 0.0501(9) Uani 1 1 d . . . . .
H24 H 0.292148 0.801794 0.877076 0.060 Uiso 1 1 calc R U . . .
C25 C 0.1459(3) 0.7324(2) 0.8416(3) 0.0586(10) Uani 1 1 d . . . . .
H25 H 0.112460 0.737899 0.888739 0.070 Uiso 1 1 calc R U . . .
C26 C 0.0869(4) 0.6864(2) 0.7800(3) 0.0659(12) Uani 1 1 d . . . . .
H26 H 0.013640 0.660913 0.785580 0.079 Uiso 1 1 calc R U . . .
C27 C 0.1337(3) 0.6773(2) 0.7103(3) 0.0600(11) Uani 1 1 d . . . . .
H27 H 0.092566 0.646916 0.667662 0.072 Uiso 1 1 calc R U . . .
C28 C 0.2418(3) 0.7139(2) 0.7051(2) 0.0511(9) Uani 1 1 d . . . . .
C29 C 0.3137(3) 0.7100(2) 0.6405(2) 0.0526(9) Uani 1 1 d . . . . .
C30 C 0.5699(3) 1.0070(2) 0.8283(2) 0.0481(8) Uani 1 1 d . . . . .
H30A H 0.542411 1.027819 0.774834 0.072 Uiso 1 1 calc R U . . .
H30B H 0.651555 0.985202 0.831645 0.072 Uiso 1 1 calc R U . . .
H30C H 0.571794 1.048359 0.867530 0.072 Uiso 1 1 calc R U . . .
C31 C 0.4789(3) 0.8547(2) 0.7726(2) 0.0440(8) Uani 1 1 d . . . . .
H31 H 0.548603 0.862192 0.748731 0.053 Uiso 1 1 calc R U . . .
C32 C 0.3066(3) 0.9709(2) 0.8338(2) 0.0495(9) Uani 1 1 d . . . . .
H32A H 0.283550 0.988435 0.778658 0.074 Uiso 1 1 calc R U . . .
H32B H 0.304457 1.014556 0.869870 0.074 Uiso 1 1 calc R U . . .
H32C H 0.249465 0.931110 0.844804 0.074 Uiso 1 1 calc R U . . .
C33 C 0.5125(3) 0.8928(2) 0.9524(2) 0.0476(8) Uani 1 1 d . . . . .
H33A H 0.519122 0.935885 0.990051 0.071 Uiso 1 1 calc R U . . .
H33B H 0.591695 0.867363 0.956477 0.071 Uiso 1 1 calc R U . . .
H33C H 0.452560 0.855610 0.965011 0.071 Uiso 1 1 calc R U . . .
C34 C 0.5548(4) 0.6841(2) 0.8931(2) 0.0576(10) Uani 1 1 d . . . . .
H34A H 0.616120 0.683557 0.941714 0.086 Uiso 1 1 calc R U . . .
H34B H 0.496601 0.642187 0.895058 0.086 Uiso 1 1 calc R U . . .
H34C H 0.511807 0.733670 0.888831 0.086 Uiso 1 1 calc R U . . .
C35 C 0.7497(3) 0.7441(2) 0.8007(2) 0.0581(10) Uani 1 1 d . . . . .
H35A H 0.714363 0.795856 0.800855 0.087 Uiso 1 1 calc R U . . .
H35B H 0.783192 0.736878 0.751943 0.087 Uiso 1 1 calc R U . . .
H35C H 0.814603 0.738332 0.846978 0.087 Uiso 1 1 calc R U . . .
C36 C 0.7075(4) 0.5748(2) 0.8183(2) 0.0577(10) Uani 1 1 d . . . . .
H36A H 0.768686 0.575243 0.866950 0.087 Uiso 1 1 calc R U . . .
H36B H 0.747003 0.564337 0.772518 0.087 Uiso 1 1 calc R U . . .
H36C H 0.647220 0.534600 0.822158 0.087 Uiso 1 1 calc R U . . .
O1 O 0.7244(2) 0.63347(15) 0.48664(14) 0.0531(6) Uani 1 1 d . . . . .
O2 O 0.2822(2) 0.68254(16) 0.57498(16) 0.0657(8) Uani 1 1 d . . . . .
Si1 Si 0.63029(9) 0.67091(6) 0.80523(6) 0.0454(3) Uani 1 1 d . . . . .
Si2 Si 0.46315(8) 0.92990(5) 0.84882(6) 0.0417(2) Uani 1 1 d . . . . .
C1 C 0.9589(6) 0.8595(4) 0.6728(4) 0.0640(19) Uani 0.655(7) 1 d D U P C 1
H1A H 1.021556 0.899569 0.683227 0.096 Uiso 0.655(7) 1 calc R U P C 1
H1B H 0.986791 0.813199 0.703610 0.096 Uiso 0.655(7) 1 calc R U P C 1
H1C H 0.883851 0.878330 0.688458 0.096 Uiso 0.655(7) 1 calc R U P C 1
C2 C 0.9353(6) 0.8403(4) 0.5861(4) 0.0670(17) Uani 0.655(7) 1 d D U P C 1
H2A H 1.011719 0.821600 0.570819 0.080 Uiso 0.655(7) 1 calc R U P C 1
H2B H 0.910840 0.887879 0.555394 0.080 Uiso 0.655(7) 1 calc R U P C 1
C3 C 0.8373(7) 0.7795(5) 0.5636(6) 0.064(2) Uani 0.655(7) 1 d D U P C 1
H3A H 0.863554 0.731210 0.592482 0.077 Uiso 0.655(7) 1 calc R U P C 1
H3B H 0.828862 0.768634 0.505977 0.077 Uiso 0.655(7) 1 calc R U P C 1
C6 C 0.206(2) 1.0072(11) 0.5960(12) 0.076(4) Uani 0.56(4) 1 d D U P D 1
H6A H 0.147831 0.997633 0.546784 0.114 Uiso 0.56(4) 1 calc R U P D 1
H6B H 0.218550 1.062878 0.603028 0.114 Uiso 0.56(4) 1 calc R U P D 1
H6C H 0.172676 0.986447 0.641211 0.114 Uiso 0.56(4) 1 calc R U P D 1
C7 C 0.326(2) 0.9678(10) 0.5913(13) 0.064(3) Uani 0.56(4) 1 d D U P D 1
H7A H 0.360178 0.992893 0.548008 0.077 Uiso 0.56(4) 1 calc R U P D 1
H7B H 0.382529 0.978929 0.641500 0.077 Uiso 0.56(4) 1 calc R U P D 1
C1A C 1.0216(10) 0.8598(8) 0.6130(8) 0.071(3) Uani 0.345(7) 1 d D U P C 2
H1AA H 1.015559 0.895094 0.567703 0.107 Uiso 0.345(7) 1 calc R U P C 2
H1AB H 1.052318 0.809747 0.598672 0.107 Uiso 0.345(7) 1 calc R U P C 2
H1AC H 1.077434 0.881365 0.658403 0.107 Uiso 0.345(7) 1 calc R U P C 2
C2A C 0.8985(10) 0.8494(8) 0.6349(7) 0.065(2) Uani 0.345(7) 1 d D U P C 2
H2AA H 0.861805 0.900845 0.639439 0.078 Uiso 0.345(7) 1 calc R U P C 2
H2AB H 0.908176 0.824434 0.687786 0.078 Uiso 0.345(7) 1 calc R U P C 2
C3A C 0.8122(11) 0.8014(11) 0.5759(11) 0.066(3) Uani 0.345(7) 1 d D U P C 2
H3AA H 0.818782 0.818609 0.521536 0.079 Uiso 0.345(7) 1 calc R U P C 2
H3AB H 0.839192 0.746935 0.581036 0.079 Uiso 0.345(7) 1 calc R U P C 2
C6A C 0.245(2) 1.0191(13) 0.5783(15) 0.071(4) Uani 0.44(4) 1 d D U P D 2
H6AA H 0.194293 1.010595 0.526043 0.107 Uiso 0.44(4) 1 calc R U P D 2
H6AB H 0.259397 1.074527 0.586498 0.107 Uiso 0.44(4) 1 calc R U P D 2
H6AC H 0.202345 0.999213 0.619762 0.107 Uiso 0.44(4) 1 calc R U P D 2
C7A C 0.365(2) 0.9773(14) 0.5826(17) 0.066(4) Uani 0.44(4) 1 d D U P D 2
H7AA H 0.420925 0.989285 0.632890 0.080 Uiso 0.44(4) 1 calc R U P D 2
H7AB H 0.405266 0.992017 0.537389 0.080 Uiso 0.44(4) 1 calc R U P D 2


_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
C4 H4 0.9500 . ?
C4 C5 1.345(5) . ?
C4 C3 1.605(9) . ?
C4 C3A 1.203(14) . ?
C5 C10 1.494(5) . ?
C5 C12 1.465(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.494(6) . ?
C8 C7 1.472(18) . ?
C8 C7A 1.67(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.341(5) . ?
C10 C11 1.528(5) . ?
C11 C21 1.599(5) . ?
C11 C22 1.541(4) . ?
C11 C29 1.543(5) . ?
C12 C13 1.486(4) . ?
C12 C15 1.355(4) . ?
C13 C14 1.492(5) . ?
C13 O1 1.216(4) . ?
C14 C16 1.405(4) . ?
C14 C20 1.373(4) . ?
C15 C16 1.479(4) . ?
C15 C21 1.485(4) . ?
C16 C17 1.367(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.400(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.382(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.404(5) . ?
C20 H20 0.9500 . ?
C21 H21 1.0000 . ?
C21 Si1 1.930(3) . ?
C22 C23 1.474(5) . ?
C22 C31 1.339(5) . ?
C23 C24 1.390(5) . ?
C23 C28 1.402(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.383(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.391(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.391(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.382(5) . ?
C28 C29 1.476(5) . ?
C29 O2 1.211(4) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30 Si2 1.865(4) . ?
C31 H31 0.9500 . ?
C31 Si2 1.872(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32 Si2 1.864(3) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C33 Si2 1.874(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C34 Si1 1.861(4) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C35 Si1 1.853(4) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C36 Si1 1.871(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C2 1.497(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.520(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6 C7 1.527(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C1A C2A 1.499(9) . ?
C2A H2AA 0.9900 . ?
C2A H2AB 0.9900 . ?
C2A C3A 1.517(11) . ?
C3A H3AA 0.9900 . ?
C3A H3AB 0.9900 . ?
C6A H6AA 0.9800 . ?
C6A H6AB 0.9800 . ?
C6A H6AC 0.9800 . ?
C6A C7A 1.524(10) . ?
C7A H7AA 0.9900 . ?
C7A H7AB 0.9900 . ?

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
C5 C4 H4 110.4 . . ?
C5 C4 C3 126.5(5) . . ?
C3A C4 H4 110.4 . . ?
C3A C4 C5 139.2(10) . . ?
C4 C5 C10 122.2(4) . . ?
C4 C5 C12 125.6(4) . . ?
C12 C5 C10 112.1(3) . . ?
H8A C8 H8B 106.9 . . ?
C9 C8 H8A 107.3 . . ?
C9 C8 H8B 107.3 . . ?
C9 C8 C7A 103.7(10) . . ?
C7 C8 H8A 107.3 . . ?
C7 C8 H8B 107.3 . . ?
C7 C8 C9 120.3(10) . . ?
C8 C9 H9 115.4 . . ?
C10 C9 C8 129.3(4) . . ?
C10 C9 H9 115.4 . . ?
C5 C10 C11 118.8(3) . . ?
C9 C10 C5 119.1(4) . . ?
C9 C10 C11 122.0(4) . . ?
C10 C11 C21 114.0(3) . . ?
C10 C11 C22 114.7(3) . . ?
C10 C11 C29 113.0(3) . . ?
C22 C11 C21 110.1(3) . . ?
C22 C11 C29 102.2(3) . . ?
C29 C11 C21 101.4(3) . . ?
C5 C12 C13 130.3(3) . . ?
C15 C12 C5 120.7(3) . . ?
C15 C12 C13 108.4(3) . . ?
C12 C13 C14 105.7(3) . . ?
O1 C13 C12 128.2(3) . . ?
O1 C13 C14 126.1(3) . . ?
C16 C14 C13 108.0(3) . . ?
C20 C14 C13 130.5(3) . . ?
C20 C14 C16 121.5(3) . . ?
C12 C15 C16 110.6(3) . . ?
C12 C15 C21 122.4(3) . . ?
C16 C15 C21 127.0(3) . . ?
C14 C16 C15 107.3(3) . . ?
C17 C16 C14 120.5(3) . . ?
C17 C16 C15 132.2(3) . . ?
C16 C17 H17 120.8 . . ?
C16 C17 C18 118.3(3) . . ?
C18 C17 H17 120.8 . . ?
C17 C18 H18 119.3 . . ?
C19 C18 C17 121.5(3) . . ?
C19 C18 H18 119.3 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0(3) . . ?
C20 C19 H19 120.0 . . ?
C14 C20 C19 118.2(3) . . ?
C14 C20 H20 120.9 . . ?
C19 C20 H20 120.9 . . ?
C11 C21 H21 106.1 . . ?
C11 C21 Si1 119.5(2) . . ?
C15 C21 C11 109.1(3) . . ?
C15 C21 H21 106.1 . . ?
C15 C21 Si1 109.1(2) . . ?
Si1 C21 H21 106.1 . . ?
C23 C22 C11 105.8(3) . . ?
C31 C22 C11 124.5(3) . . ?
C31 C22 C23 129.6(3) . . ?
C24 C23 C22 130.7(3) . . ?
C24 C23 C28 119.1(3) . . ?
C28 C23 C22 110.1(3) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 C23 119.4(4) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 H25 119.7 . . ?
C24 C25 C26 120.7(4) . . ?
C26 C25 H25 119.7 . . ?
C25 C26 H26 119.5 . . ?
C25 C26 C27 120.9(4) . . ?
C27 C26 H26 119.5 . . ?
C26 C27 H27 121.1 . . ?
C28 C27 C26 117.9(4) . . ?
C28 C27 H27 121.1 . . ?
C23 C28 C29 109.4(3) . . ?
C27 C28 C23 122.0(4) . . ?
C27 C28 C29 128.7(3) . . ?
C28 C29 C11 106.3(3) . . ?
O2 C29 C11 126.6(4) . . ?
O2 C29 C28 126.9(4) . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si2 C30 H30A 109.5 . . ?
Si2 C30 H30B 109.5 . . ?
Si2 C30 H30C 109.5 . . ?
C22 C31 H31 112.9 . . ?
C22 C31 Si2 134.3(3) . . ?
Si2 C31 H31 112.9 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si1 C34 H34A 109.5 . . ?
Si1 C34 H34B 109.5 . . ?
Si1 C34 H34C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si1 C35 H35A 109.5 . . ?
Si1 C35 H35B 109.5 . . ?
Si1 C35 H35C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si1 C36 H36A 109.5 . . ?
Si1 C36 H36B 109.5 . . ?
Si1 C36 H36C 109.5 . . ?
C34 Si1 C21 110.44(16) . . ?
C34 Si1 C36 106.18(18) . . ?
C35 Si1 C21 113.09(17) . . ?
C35 Si1 C34 112.40(19) . . ?
C35 Si1 C36 107.10(19) . . ?
C36 Si1 C21 107.19(16) . . ?
C30 Si2 C31 103.08(16) . . ?
C30 Si2 C33 109.38(17) . . ?
C31 Si2 C33 111.73(16) . . ?
C32 Si2 C30 108.50(16) . . ?
C32 Si2 C31 111.68(16) . . ?
C32 Si2 C33 112.03(16) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C1 C2 H2A 108.9 . . ?
C1 C2 H2B 108.9 . . ?
C1 C2 C3 113.5(6) . . ?
H2A C2 H2B 107.7 . . ?
C3 C2 H2A 108.9 . . ?
C3 C2 H2B 108.9 . . ?
C4 C3 H3A 108.8 . . ?
C4 C3 H3B 108.8 . . ?
C2 C3 C4 113.8(6) . . ?
C2 C3 H3A 108.8 . . ?
C2 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
C8 C7 C6 119.2(11) . . ?
C8 C7 H7A 107.5 . . ?
C8 C7 H7B 107.5 . . ?
C6 C7 H7A 107.5 . . ?
C6 C7 H7B 107.5 . . ?
H7A C7 H7B 107.0 . . ?
H1AA C1A H1AB 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C2A C1A H1AA 109.5 . . ?
C2A C1A H1AB 109.5 . . ?
C2A C1A H1AC 109.5 . . ?
C1A C2A H2AA 108.8 . . ?
C1A C2A H2AB 108.8 . . ?
C1A C2A C3A 113.8(9) . . ?
H2AA C2A H2AB 107.7 . . ?
C3A C2A H2AA 108.8 . . ?
C3A C2A H2AB 108.8 . . ?
C4 C3A C2A 115.6(12) . . ?
C4 C3A H3AA 108.4 . . ?
C4 C3A H3AB 108.4 . . ?
C2A C3A H3AA 108.4 . . ?
C2A C3A H3AB 108.4 . . ?
H3AA C3A H3AB 107.4 . . ?
H6AA C6A H6AB 109.5 . . ?
H6AA C6A H6AC 109.5 . . ?
H6AB C6A H6AC 109.5 . . ?
C7A C6A H6AA 109.5 . . ?
C7A C6A H6AB 109.5 . . ?
C7A C6A H6AC 109.5 . . ?
C8 C7A H7AA 110.9 . . ?
C8 C7A H7AB 110.9 . . ?
C6A C7A C8 104.4(14) . . ?
C6A C7A H7AA 110.9 . . ?
C6A C7A H7AB 110.9 . . ?
H7AA C7A H7AB 108.9 . . ?

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
C4 C5 C10 C9 43.2(5) . . . . ?
C4 C5 C10 C11 -141.3(4) . . . . ?
C4 C5 C12 C13 -43.4(6) . . . . ?
C4 C5 C12 C15 146.2(4) . . . . ?
C5 C4 C3 C2 -155.2(6) . . . . ?
C5 C4 C3A C2A -121.1(13) . . . . ?
C5 C10 C11 C21 -4.5(4) . . . . ?
C5 C10 C11 C22 123.7(3) . . . . ?
C5 C10 C11 C29 -119.6(3) . . . . ?
C5 C12 C13 C14 -172.1(3) . . . . ?
C5 C12 C13 O1 6.3(6) . . . . ?
C5 C12 C15 C16 173.2(3) . . . . ?
C5 C12 C15 C21 -8.9(5) . . . . ?
C8 C9 C10 C5 -179.1(4) . . . . ?
C8 C9 C10 C11 5.6(6) . . . . ?
C9 C8 C7 C6 178.4(10) . . . . ?
C9 C8 C7A C6A 172.6(11) . . . . ?
C9 C10 C11 C21 170.8(3) . . . . ?
C9 C10 C11 C22 -60.9(5) . . . . ?
C9 C10 C11 C29 55.7(4) . . . . ?
C10 C5 C12 C13 137.5(4) . . . . ?
C10 C5 C12 C15 -32.9(4) . . . . ?
C10 C11 C21 C15 -33.1(4) . . . . ?
C10 C11 C21 Si1 93.3(3) . . . . ?
C10 C11 C22 C23 146.6(3) . . . . ?
C10 C11 C22 C31 -29.9(5) . . . . ?
C10 C11 C29 C28 -146.9(3) . . . . ?
C10 C11 C29 O2 37.2(5) . . . . ?
C11 C22 C23 C24 161.6(4) . . . . ?
C11 C22 C23 C28 -16.8(4) . . . . ?
C11 C22 C31 Si2 174.8(3) . . . . ?
C12 C5 C10 C9 -137.6(4) . . . . ?
C12 C5 C10 C11 37.9(4) . . . . ?
C12 C13 C14 C16 0.3(4) . . . . ?
C12 C13 C14 C20 179.0(3) . . . . ?
C12 C15 C16 C14 -0.7(4) . . . . ?
C12 C15 C16 C17 -178.7(4) . . . . ?
C12 C15 C21 C11 42.3(4) . . . . ?
C12 C15 C21 Si1 -89.9(3) . . . . ?
C13 C12 C15 C16 0.9(4) . . . . ?
C13 C12 C15 C21 178.8(3) . . . . ?
C13 C14 C16 C15 0.2(4) . . . . ?
C13 C14 C16 C17 178.5(3) . . . . ?
C13 C14 C20 C19 -178.9(3) . . . . ?
C14 C16 C17 C18 0.7(5) . . . . ?
C15 C12 C13 C14 -0.8(4) . . . . ?
C15 C12 C13 O1 177.7(3) . . . . ?
C15 C16 C17 C18 178.5(3) . . . . ?
C16 C14 C20 C19 -0.3(5) . . . . ?
C16 C15 C21 C11 -140.2(3) . . . . ?
C16 C15 C21 Si1 87.6(4) . . . . ?
C16 C17 C18 C19 -0.4(5) . . . . ?
C17 C18 C19 C20 -0.3(5) . . . . ?
C18 C19 C20 C14 0.6(5) . . . . ?
C20 C14 C16 C15 -178.6(3) . . . . ?
C20 C14 C16 C17 -0.3(5) . . . . ?
C21 C11 C22 C23 -83.1(3) . . . . ?
C21 C11 C22 C31 100.4(4) . . . . ?
C21 C11 C29 C28 90.6(3) . . . . ?
C21 C11 C29 O2 -85.3(4) . . . . ?
C21 C15 C16 C14 -178.4(3) . . . . ?
C21 C15 C16 C17 3.5(6) . . . . ?
C22 C11 C21 C15 -163.7(3) . . . . ?
C22 C11 C21 Si1 -37.3(4) . . . . ?
C22 C11 C29 C28 -23.1(4) . . . . ?
C22 C11 C29 O2 161.0(4) . . . . ?
C22 C23 C24 C25 -178.5(4) . . . . ?
C22 C23 C28 C27 -179.7(3) . . . . ?
C22 C23 C28 C29 1.7(4) . . . . ?
C22 C31 Si2 C30 -164.9(4) . . . . ?
C22 C31 Si2 C32 -48.6(4) . . . . ?
C22 C31 Si2 C33 77.8(4) . . . . ?
C23 C22 C31 Si2 -0.8(6) . . . . ?
C23 C24 C25 C26 -0.6(6) . . . . ?
C23 C28 C29 C11 14.1(4) . . . . ?
C23 C28 C29 O2 -170.1(4) . . . . ?
C24 C23 C28 C27 1.7(5) . . . . ?
C24 C23 C28 C29 -176.9(3) . . . . ?
C24 C25 C26 C27 0.0(6) . . . . ?
C25 C26 C27 C28 1.4(6) . . . . ?
C26 C27 C28 C23 -2.3(6) . . . . ?
C26 C27 C28 C29 176.0(4) . . . . ?
C27 C28 C29 C11 -164.4(4) . . . . ?
C27 C28 C29 O2 11.5(7) . . . . ?
C28 C23 C24 C25 -0.2(5) . . . . ?
C29 C11 C21 C15 88.6(3) . . . . ?
C29 C11 C21 Si1 -144.9(2) . . . . ?
C29 C11 C22 C23 23.9(3) . . . . ?
C29 C11 C22 C31 -152.5(3) . . . . ?
C31 C22 C23 C24 -22.1(6) . . . . ?
C31 C22 C23 C28 159.4(4) . . . . ?
O1 C13 C14 C16 -178.1(3) . . . . ?
O1 C13 C14 C20 0.6(6) . . . . ?
C1 C2 C3 C4 60.4(10) . . . . ?
C3 C4 C5 C10 179.8(5) . . . . ?
C3 C4 C5 C12 0.8(7) . . . . ?
C7 C8 C9 C10 123.8(10) . . . . ?
C1A C2A C3A C4 -166.2(15) . . . . ?
C3A C4 C5 C10 169.9(13) . . . . ?
C3A C4 C5 C12 -9.2(15) . . . . ?
C7A C8 C9 C10 129.6(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'DCM/Hexane Layer at 0 degree Celsius'
