# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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_b220519a_0m
_audit_block_doi                 10.5517/ccdc.csd.cc2d0nnr
_database_code_depnum_ccdc_archive 'CCDC 2205174'
loop_
_audit_author_name
_audit_author_address
GD
;Soochow University
China
;
_audit_update_record             
;
2022-09-04 deposited with the CCDC.	2024-04-25 downloaded from the CCDC.
;
_audit_creation_date             2022-06-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C46 H76 B2 F6 O6 Si2)'
_chemical_formula_sum            'C23 H38 B F3 O3 Si'
_chemical_formula_weight         458.43
_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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_space_group_name_Hall           '-P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   11.691(4)
_cell_length_b                   9.567(4)
_cell_length_c                   12.612(5)
_cell_angle_alpha                90
_cell_angle_beta                 104.951(10)
_cell_angle_gamma                90
_cell_volume                     1363.0(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8023
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      22.59
_cell_measurement_theta_min      2.71
_shelx_estimated_absorpt_T_max   0.951
_shelx_estimated_absorpt_T_min   0.928
_exptl_absorpt_coefficient_mu    0.126
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1194 before and 0.0643 after correction.
The Ratio of minimum to maximum transmission is 0.9041.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.117
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0626
_diffrn_reflns_av_unetI/netI     0.0445
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            31018
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.594
_diffrn_reflns_theta_min         2.707
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1674
_reflns_number_total             3313
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.292
_refine_diff_density_min         -0.251
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         3313
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.1495
_refine_ls_R_factor_gt           0.0803
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1559P)²+0.1543P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2282
_refine_ls_wR_factor_ref         0.2785
_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. Restrained distances
 C9-C8 \\sim C8-C10 \\sim C12-C11 \\sim C13-C11 \\sim C16-C14 \\sim C15-C14
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C11 \\sim C13 \\sim C12: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C9 \\sim C8 \\sim C10: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C14 \\sim C15 \\sim C16: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
4. Rigid body (RIGU) restrains
 C9, C8, C10
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C11, C13, C12
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C14, C15, C16
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
5. Others
 Fixed Sof: Si1(0.5) O3(0.5) O2(0.5) F2(0.5) F1(0.5) C17(0.5) C7(0.5) C21(0.5)
 C14(0.5) H14(0.5) C22(0.5) H22A(0.5) H22B(0.5) H22C(0.5) C15(0.5) H15A(0.5)
 H15B(0.5) H15C(0.5) C20(0.5) H20A(0.5) H20B(0.5) C19(0.5) H19A(0.5) H19B(0.5)
 H19C(0.5) C16(0.5) H16A(0.5) H16B(0.5) H16C(0.5) C8(0.5) H8(0.5) C9(0.5)
 H9A(0.5) H9B(0.5) H9C(0.5) C10(0.5) H10A(0.5) H10B(0.5) H10C(0.5) C23(0.5)
 H23A(0.5) H23B(0.5) H23C(0.5) C18(0.5) H18A(0.5) H18B(0.5) H18C(0.5) C11(0.5)
 H11(0.5) C13(0.5) H13A(0.5) H13B(0.5) H13C(0.5) C12(0.5) H12A(0.5) H12B(0.5)
 H12C(0.5) F3(0.5)
 Fixed Z: C17(0.42313)
6.a Riding coordinates:
 C12(H12A,H12B,H12C)
6.b Ternary CH refined with riding coordinates:
 C14(H14), C8(H8), C11(H11)
6.c Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B)
6.d Aromatic/amide H refined with riding coordinates:
 C6(H6), C4(H4), C3(H3)
6.e Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C15(H15A,H15B,H15C), C19(H19A,H19B,H19C), C16(H16A,H16B,
 H16C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C23(H23A,H23B,H23C), C18(H18A,
 H18B,H18C), C13(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.12676(12) 0.743(2) 0.80741(12) 0.0935(15) Uani 0.5 1 d . . P A -1
O3 O 0.5762(3) 0.763(11) 0.5352(2) 0.095(10) Uani 0.5 1 d . . P A -1
O1 O 0.2690(2) 0.7500 0.8631(2) 0.1164(12) Uani 1 2 d S T P . .
O2 O 0.3667(4) 0.749(3) 0.4907(2) 0.1153(15) Uani 0.5 1 d . . P A -1
F2 F 0.430(2) 0.6376(14) 1.0662(13) 0.140(3) Uani 0.5 1 d . . P A -1
C5 C 0.4750(3) 0.7500 0.6878(2) 0.0684(9) Uani 1 2 d S T P A .
C1 C 0.3691(3) 0.7500 0.8293(3) 0.0745(9) Uani 1 2 d S T P A .
C6 C 0.3700(3) 0.7500 0.7200(2) 0.0737(9) Uani 1 2 d S T P . .
H6 H 0.2984 0.7500 0.6665 0.088 Uiso 1 2 calc R U P A .
C4 C 0.5794(3) 0.7500 0.7682(3) 0.0961(12) Uani 1 2 d S T P . .
H4 H 0.6509 0.7500 0.7487 0.115 Uiso 1 2 calc R U P A .
F1 F 0.5828(4) 0.786(3) 1.0908(2) 0.205(10) Uani 0.5 1 d . . P A -1
C2 C 0.4759(3) 0.7500 0.9082(3) 0.0879(11) Uani 1 2 d S T P . .
C3 C 0.5799(4) 0.7500 0.8768(3) 0.1100(15) Uani 1 2 d S T P A .
H3 H 0.6517 0.7500 0.9301 0.132 Uiso 1 2 calc R U P . .
B1 B 0.4722(4) 0.7500 0.5627(3) 0.0778(11) Uani 1 2 d S T P . .
C17 C 0.5821(6) 0.765(6) 0.4231 0.107(8) Uani 0.5 1 d . . P A -1
C7 C 0.4787(6) 0.738(5) 1.0300(6) 0.131(5) Uani 0.5 1 d . . P A -1
C21 C 0.3529(8) 0.7220(18) 0.3726(4) 0.108(5) Uani 0.5 1 d . . P A -1
C14 C 0.0596(5) 0.734(3) 0.9259(6) 0.148(4) Uani 0.5 1 d D U P A -1
H14 H 0.0873 0.6420 0.9554 0.177 Uiso 0.5 1 calc R U P A -1
C22 C 0.2568(14) 0.616(2) 0.3348(12) 0.170(6) Uani 0.5 1 d . . P A -1
H22A H 0.2812 0.5286 0.3706 0.255 Uiso 0.5 1 calc R U P A -1
H22B H 0.2414 0.6044 0.2568 0.255 Uiso 0.5 1 calc R U P A -1
H22C H 0.1862 0.6479 0.3527 0.255 Uiso 0.5 1 calc R U P A -1
C15 C -0.0698(6) 0.713(2) 0.9007(8) 0.183(7) Uani 0.5 1 d D U P A -1
H15A H -0.1089 0.7824 0.8489 0.274 Uiso 0.5 1 calc R U P A -1
H15B H -0.0954 0.7213 0.9669 0.274 Uiso 0.5 1 calc R U P A -1
H15C H -0.0891 0.6216 0.8699 0.274 Uiso 0.5 1 calc R U P A -1
C20 C 0.4705(9) 0.6768(7) 0.3540(5) 0.119(3) Uani 0.5 1 d . . P A -1
H20A H 0.4665 0.6856 0.2765 0.143 Uiso 0.5 1 calc R U P A -1
H20B H 0.4830 0.5788 0.3734 0.143 Uiso 0.5 1 calc R U P A -1
C19 C 0.6864(11) 0.6472(16) 0.4174(12) 0.152(5) Uani 0.5 1 d . . P A -1
H19A H 0.7615 0.6779 0.4624 0.229 Uiso 0.5 1 calc R U P A -1
H19B H 0.6912 0.6376 0.3428 0.229 Uiso 0.5 1 calc R U P A -1
H19C H 0.6664 0.5586 0.4435 0.229 Uiso 0.5 1 calc R U P A -1
C16 C 0.1151(8) 0.8221(13) 1.0191(7) 0.190(5) Uani 0.5 1 d D U P A -1
H16A H 0.1956 0.7930 1.0485 0.284 Uiso 0.5 1 calc R U P A -1
H16B H 0.0727 0.8135 1.0746 0.284 Uiso 0.5 1 calc R U P A -1
H16C H 0.1136 0.9177 0.9957 0.284 Uiso 0.5 1 calc R U P A -1
C8 C 0.0654(15) 0.8712(18) 0.7104(11) 0.199(6) Uani 0.5 1 d D U P A -1
H8 H -0.0189 0.8669 0.7083 0.239 Uiso 0.5 1 calc R U P A -1
C9 C 0.0631(15) 0.884(2) 0.5961(10) 0.290(8) Uani 0.5 1 d D U P A -1
H9A H 0.1279 0.8324 0.5817 0.435 Uiso 0.5 1 calc R U P A -1
H9B H 0.0700 0.9806 0.5784 0.435 Uiso 0.5 1 calc R U P A -1
H9C H -0.0103 0.8473 0.5519 0.435 Uiso 0.5 1 calc R U P A -1
C10 C 0.0926(18) 1.019(2) 0.7309(15) 0.230(7) Uani 0.5 1 d D U P A -1
H10A H 0.0621 1.0499 0.7907 0.345 Uiso 0.5 1 calc R U P A -1
H10B H 0.0567 1.0716 0.6663 0.345 Uiso 0.5 1 calc R U P A -1
H10C H 0.1768 1.0317 0.7494 0.345 Uiso 0.5 1 calc R U P A -1
C23 C 0.3144(14) 0.8701(18) 0.3229(13) 0.144(5) Uani 0.5 1 d . . P A -1
H23A H 0.2401 0.8953 0.3368 0.215 Uiso 0.5 1 calc R U P A -1
H23B H 0.3060 0.8682 0.2452 0.215 Uiso 0.5 1 calc R U P A -1
H23C H 0.3734 0.9377 0.3563 0.215 Uiso 0.5 1 calc R U P A -1
C18 C 0.6039(12) 0.8893(12) 0.3914(9) 0.146(4) Uani 0.5 1 d . . P A -1
H18A H 0.5331 0.9447 0.3775 0.219 Uiso 0.5 1 calc R U P A -1
H18B H 0.6301 0.8822 0.3255 0.219 Uiso 0.5 1 calc R U P A -1
H18C H 0.6645 0.9328 0.4479 0.219 Uiso 0.5 1 calc R U P A -1
C11 C 0.1137(14) 0.5692(18) 0.7385(16) 0.216(7) Uani 0.5 1 d D U P A -1
H11 H 0.1532 0.5773 0.6790 0.259 Uiso 0.5 1 calc R U P A -1
C13 C 0.1791(15) 0.4577(12) 0.8157(13) 0.224(6) Uani 0.5 1 d D U P A -1
H13A H 0.2628 0.4724 0.8292 0.336 Uiso 0.5 1 calc R U P A -1
H13B H 0.1590 0.3673 0.7832 0.336 Uiso 0.5 1 calc R U P A -1
H13C H 0.1569 0.4626 0.8838 0.336 Uiso 0.5 1 calc R U P A -1
C12 C -0.0125(16) 0.534(3) 0.6865(18) 0.297(8) Uani 0.5 1 d D U P A -1
H12A H -0.0411 0.4746 0.7352 0.445 Uiso 0.5 1 d R U P A -1
H12B H -0.0193 0.4869 0.6181 0.445 Uiso 0.5 1 d R U P A -1
H12C H -0.0585 0.6186 0.6738 0.445 Uiso 0.5 1 d R U P A -1
F3 F 0.415(2) 0.858(2) 1.0441(13) 0.197(9) Uani 0.5 1 d . . P A -1


_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 O1 1.631(3) . ?
Si1 C14 1.861(6) . ?
Si1 C8 1.750(18) . ?
Si1 C11 1.86(3) . ?
O3 B1 1.354(11) . ?
O3 C17 1.433(4) . ?
O1 C1 1.345(4) . ?
O2 B1 1.329(6) . ?
O2 C21 1.478(9) . ?
F2 C7 1.26(4) . ?
C5 C6 1.389(5) . ?
C5 C4 1.371(5) . ?
C5 B1 1.570(5) . ?
C1 C6 1.382(4) . ?
C1 C2 1.381(5) . ?
C6 H6 0.9300 . ?
C4 H4 0.9300 . ?
C4 C3 1.369(5) . ?
F1 C7 1.341(18) . ?
C2 C3 1.372(5) . ?
C2 C7 1.531(9) . ?
C3 H3 0.9300 . ?
C17 C20 1.61(3) . ?
C17 C19 1.68(4) . ?
C17 C18 1.30(6) . ?
C7 F3 1.40(4) . ?
C21 C22 1.495(19) . ?
C21 C20 1.515(12) . ?
C21 C23 1.57(2) . ?
C14 H14 0.9800 . ?
C14 C15 1.477(8) . ?
C14 C16 1.455(14) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C8 H8 0.9800 . ?
C8 C9 1.441(13) . ?
C8 C10 1.454(14) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C11 H11 0.9800 . ?
C11 C13 1.512(14) . ?
C11 C12 1.490(13) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C12 H12A 0.9601 . ?
C12 H12B 0.9601 . ?
C12 H12C 0.9599 . ?

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 Si1 C14 104.5(2) . . ?
O1 Si1 C8 117.4(11) . . ?
O1 Si1 C11 100.9(9) . . ?
C14 Si1 C11 109.5(12) . . ?
C8 Si1 C14 114.3(10) . . ?
C8 Si1 C11 109.3(8) . . ?
B1 O3 C17 121.9(8) . . ?
C1 O1 Si1 137.5(2) . . ?
B1 O2 C21 122.1(7) . . ?
C6 C5 B1 120.2(3) . . ?
C4 C5 C6 117.9(3) . . ?
C4 C5 B1 121.9(3) . . ?
O1 C1 C6 123.2(3) . . ?
O1 C1 C2 118.1(3) . . ?
C2 C1 C6 118.8(3) . . ?
C5 C6 H6 119.1 . . ?
C1 C6 C5 121.8(3) . . ?
C1 C6 H6 119.1 . . ?
C5 C4 H4 119.5 . . ?
C3 C4 C5 120.9(4) . . ?
C3 C4 H4 119.5 . . ?
C1 C2 C7 120.3(4) . . ?
C3 C2 C1 119.7(3) . . ?
C3 C2 C7 119.9(4) . . ?
C4 C3 C2 120.9(4) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
O3 B1 C5 118.0(4) . . ?
O2 B1 O3 124.2(4) . . ?
O2 B1 C5 117.5(4) . . ?
O3 C17 C20 107(3) . . ?
O3 C17 C19 105(4) . . ?
C20 C17 C19 97(3) . . ?
C18 C17 O3 112(5) . . ?
C18 C17 C20 120.6(17) . . ?
C18 C17 C19 113.5(10) . . ?
F2 C7 F1 119(2) . . ?
F2 C7 C2 122(2) . . ?
F2 C7 F3 105.6(6) . . ?
F1 C7 C2 109.2(13) . . ?
F1 C7 F3 95(3) . . ?
F3 C7 C2 101(2) . . ?
O2 C21 C22 108.4(11) . . ?
O2 C21 C20 109.7(7) . . ?
O2 C21 C23 101.1(16) . . ?
C22 C21 C20 113.2(13) . . ?
C22 C21 C23 111.7(9) . . ?
C20 C21 C23 112.0(9) . . ?
Si1 C14 H14 100.3 . . ?
C15 C14 Si1 117.0(6) . . ?
C15 C14 H14 100.3 . . ?
C16 C14 Si1 115.5(10) . . ?
C16 C14 H14 100.3 . . ?
C16 C14 C15 118.2(9) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C20 H20A 108.7 . . ?
C17 C20 H20B 108.7 . . ?
C21 C20 C17 114.1(13) . . ?
C21 C20 H20A 108.7 . . ?
C21 C20 H20B 108.7 . . ?
H20A C20 H20B 107.6 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si1 C8 H8 102.6 . . ?
C9 C8 Si1 131.1(14) . . ?
C9 C8 H8 102.6 . . ?
C9 C8 C10 92.5(14) . . ?
C10 C8 Si1 121.6(14) . . ?
C10 C8 H8 102.6 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C11 H11 106.8 . . ?
C13 C11 Si1 111.2(12) . . ?
C13 C11 H11 106.8 . . ?
C12 C11 Si1 111.0(15) . . ?
C12 C11 H11 106.8 . . ?
C12 C11 C13 113.8(15) . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C12 H12A 108.7 . . ?
C11 C12 H12B 110.2 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?

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
Si1 O1 C1 C6 3.5(11) . . . . ?
Si1 O1 C1 C2 -176.5(11) . . . . ?
O3 C17 C20 C21 52(5) . . . . ?
O1 Si1 C14 C15 -174.2(15) . . . . ?
O1 Si1 C14 C16 39.7(19) . . . . ?
O1 Si1 C8 C9 80(2) . . . . ?
O1 Si1 C8 C10 -47.6(19) . . . . ?
O1 Si1 C11 C13 48.5(11) . . . . ?
O1 Si1 C11 C12 176.3(13) . . . . ?
O1 C1 C6 C5 180.000(1) . . . . ?
O1 C1 C2 C3 180.000(1) . . . . ?
O1 C1 C2 C7 5(2) . . . . ?
O2 C21 C20 C17 -42(2) . . . . ?
C5 C4 C3 C2 0.000(2) . . . . ?
C1 C2 C3 C4 0.000(2) . . . . ?
C1 C2 C7 F2 56(3) . . . . ?
C1 C2 C7 F1 -159(2) . . . . ?
C1 C2 C7 F3 -60(2) . . . . ?
C6 C5 C4 C3 0.000(2) . . . . ?
C6 C5 B1 O3 174(5) . . . . ?
C6 C5 B1 O2 -0.7(15) . . . . ?
C6 C1 C2 C3 0.000(2) . . . . ?
C6 C1 C2 C7 -175(2) . . . . ?
C4 C5 C6 C1 0.000(1) . . . . ?
C4 C5 B1 O3 -6(5) . . . . ?
C4 C5 B1 O2 179.3(15) . . . . ?
C2 C1 C6 C5 0.000(2) . . . . ?
C3 C2 C7 F2 -119.1(15) . . . . ?
C3 C2 C7 F1 25(4) . . . . ?
C3 C2 C7 F3 124.6(9) . . . . ?
B1 O3 C17 C20 -28(10) . . . . ?
B1 O3 C17 C19 -130(7) . . . . ?
B1 O3 C17 C18 106(8) . . . . ?
B1 O2 C21 C22 133(2) . . . . ?
B1 O2 C21 C20 9(3) . . . . ?
B1 O2 C21 C23 -110(2) . . . . ?
B1 C5 C6 C1 180.000(1) . . . . ?
B1 C5 C4 C3 180.000(1) . . . . ?
C17 O3 B1 O2 -5(11) . . . . ?
C17 O3 B1 C5 -179(6) . . . . ?
C7 C2 C3 C4 175(2) . . . . ?
C21 O2 B1 O3 17(6) . . . . ?
C21 O2 B1 C5 -168.4(16) . . . . ?
C14 Si1 O1 C1 175.4(9) . . . . ?
C14 Si1 C8 C9 -157.5(18) . . . . ?
C14 Si1 C8 C10 75(2) . . . . ?
C14 Si1 C11 C13 -61.3(11) . . . . ?
C14 Si1 C11 C12 66.5(14) . . . . ?
C22 C21 C20 C17 -163.5(18) . . . . ?
C19 C17 C20 C21 159.4(8) . . . . ?
C8 Si1 O1 C1 -56.9(16) . . . . ?
C8 Si1 C14 C15 56(2) . . . . ?
C8 Si1 C14 C16 -90.0(14) . . . . ?
C8 Si1 C11 C13 172.9(11) . . . . ?
C8 Si1 C11 C12 -59.3(14) . . . . ?
C23 C21 C20 C17 69.1(19) . . . . ?
C18 C17 C20 C21 -78.0(14) . . . . ?
C11 Si1 O1 C1 61.7(13) . . . . ?
C11 Si1 C14 C15 -66.8(18) . . . . ?
C11 Si1 C14 C16 147.1(13) . . . . ?
C11 Si1 C8 C9 -34(2) . . . . ?
C11 Si1 C8 C10 -161.6(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
