# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 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 
# this file and to allow appropriate attribution of the data. 
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data_exp_3527_auto
_database_code_depnum_ccdc_archive 'CCDC 2524632'
loop_
_audit_author_name
_audit_author_address
'Daigo Hayashi'
;The University of Osaka
Japan
;
_audit_update_record             
;
2026-01-21 deposited with the CCDC.	2026-03-31 downloaded from the CCDC.
;
_audit_creation_date             2025-12-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H43 B O2 Si2'
_chemical_formula_sum            'C28 H43 B O2 Si2'
_chemical_formula_weight         478.63
_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 0.0181 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'
B B 0.0090 0.0039 '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'

_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.5182(3)
_cell_length_b                   13.8191(2)
_cell_length_c                   13.2866(2)
_cell_angle_alpha                90
_cell_angle_beta                 113.011(2)
_cell_angle_gamma                90
_cell_volume                     2791.57(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11344
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      76.0540
_cell_measurement_theta_min      2.8690
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.306
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95594
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.119a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.170
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_unetI/netI     0.0297
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18802
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.195
_diffrn_reflns_theta_min         2.906
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4993
_reflns_number_total             5606
_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       'CrysAlisPro 1.171.43.119a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.119a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.119a (Rigaku OD, 2024)'
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       0.00022(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         5606
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0354
_refine_ls_restrained_S_all      1.118
_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)+(0.0409P)²+1.4437P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.0953
_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
 C12-C11 \\sim C12-C11A
 with sigma of 0.02
 C12-C11 \\sim C12-C13
 with sigma of 0.02
 C12-C11A \\sim C12-C11B
 with sigma of 0.02
 C11A-C13 \\sim C11B-C13
 with sigma of 0.02
 C16-C22 \\sim C16-C22A
 with sigma of 0.02
 C16-C21 \\sim C16-C21A
 with sigma of 0.02
3. Others
 Sof(C13)=Sof(H13A)=Sof(H13B)=Sof(H13C)=1-FVAR(1)
 Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=FVAR(1)
 Sof(C11B)=Sof(H11G)=Sof(H11H)=Sof(H11I)=1-FVAR(2)
 Sof(C11A)=Sof(H11D)=Sof(H11E)=Sof(H11F)=FVAR(2)
 Sof(C22A)=Sof(H22D)=Sof(H22E)=Sof(H22F)=1-FVAR(3)
 Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(H22C)=FVAR(3)
 Sof(C21A)=Sof(H21D)=Sof(H21E)=Sof(H21F)=1-FVAR(4)
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=FVAR(4)
4.a Ternary CH refined with riding coordinates:
 C7(H7), C10(H10), C9(H9)
4.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C28(H28A,H28B), C26(H26A,H26B)
4.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C4(H4), C2(H2), C34(H34), C5(H5), C31(H31), C35(H35), C32(H32),
 C33(H33), C3(H3)
4.d Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C29(H29A,H29B,H29C), C24(H24A,H24B,H24C), C27(H27A,H27B,
 H27C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C11(H11A,H11B,H11C),
 C11A(H11D,H11E,H11F), C13(H13A,H13B,H13C), C11B(H11G,H11H,H11I), C22A(H22D,
 H22E,H22F), C21A(H21D,H21E,H21F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
Si23 Si 0.12863(2) 0.71451(3) 0.13626(3) 0.01949(10) Uani 1 1 d . . . . .
Si11 Si 0.33986(2) 0.68563(3) 0.25774(3) 0.01923(10) Uani 1 1 d . . . . .
O13 O 0.58035(7) 0.74570(10) 0.37058(9) 0.0365(3) Uani 1 1 d . . . . .
O15 O 0.52398(7) 0.79512(12) 0.49171(9) 0.0460(4) Uani 1 1 d . . . . .
C1 C 0.20231(9) 0.94309(10) 0.21014(11) 0.0202(3) Uani 1 1 d . . . . .
C30 C 0.12143(9) 0.58188(11) 0.16337(11) 0.0219(3) Uani 1 1 d . . . . .
C8 C 0.36039(9) 0.87943(10) 0.29716(12) 0.0231(3) Uani 1 1 d . . . . .
H8A H 0.360982 0.882817 0.370364 0.028 Uiso 1 1 calc R U . . .
H8B H 0.383305 0.939833 0.281934 0.028 Uiso 1 1 calc R U . . .
C7 C 0.41779(9) 0.79379(10) 0.28875(11) 0.0217(3) Uani 1 1 d . . . . .
H7 H 0.430096 0.805013 0.223277 0.026 Uiso 1 1 calc R U . . .
C28 C 0.36414(10) 0.59587(11) 0.37205(12) 0.0251(3) Uani 1 1 d . . . . .
H28A H 0.324985 0.541006 0.344870 0.030 Uiso 1 1 calc R U . . .
H28B H 0.423777 0.572465 0.392042 0.030 Uiso 1 1 calc R U . . .
C6 C 0.17914(9) 0.96247(10) 0.29842(11) 0.0240(3) Uani 1 1 d . . . . .
H6 H 0.204648 0.926735 0.362445 0.029 Uiso 1 1 calc R U . . .
C10 C 0.23758(9) 0.76003(10) 0.23487(11) 0.0192(3) Uani 1 1 d . . . . .
H10 H 0.232849 0.763612 0.306033 0.023 Uiso 1 1 calc R U . . .
C9 C 0.26572(9) 0.86307(10) 0.21311(11) 0.0201(3) Uani 1 1 d . . . . .
H9 H 0.268520 0.861283 0.140810 0.024 Uiso 1 1 calc R U . . .
C16 C 0.61347(9) 0.76540(11) 0.55830(12) 0.0262(3) Uani 1 1 d D . . . .
C4 C 0.08112(10) 1.08920(11) 0.19827(13) 0.0298(3) Uani 1 1 d . . . . .
H4 H 0.040588 1.137288 0.194281 0.036 Uiso 1 1 calc R U . . .
C2 C 0.16430(10) 0.99952(11) 0.11678(12) 0.0265(3) Uani 1 1 d . . . . .
H2 H 0.179298 0.988511 0.057182 0.032 Uiso 1 1 calc R U . . .
C25 C 0.11673(10) 0.73434(12) -0.00828(12) 0.0287(3) Uani 1 1 d . . . . .
H25A H 0.167333 0.708816 -0.017785 0.043 Uiso 1 1 calc R U . . .
H25B H 0.111936 0.802403 -0.024013 0.043 Uiso 1 1 calc R U . . .
H25C H 0.064817 0.701980 -0.057147 0.043 Uiso 1 1 calc R U . . .
C34 C 0.11628(11) 0.45433(12) 0.28689(14) 0.0324(3) Uani 1 1 d . . . . .
H34 H 0.115668 0.436132 0.353975 0.039 Uiso 1 1 calc R U . . .
C5 C 0.11882(10) 1.03402(11) 0.29224(13) 0.0273(3) Uani 1 1 d . . . . .
H5 H 0.103468 1.045163 0.351529 0.033 Uiso 1 1 calc R U . . .
C31 C 0.11605(10) 0.50995(12) 0.08708(13) 0.0296(3) Uani 1 1 d . . . . .
H31 H 0.115211 0.527679 0.019154 0.036 Uiso 1 1 calc R U . . .
C26 C 0.34164(10) 0.61925(12) 0.13506(12) 0.0276(3) Uani 1 1 d . . . . .
H26A H 0.296834 0.569282 0.113945 0.033 Uiso 1 1 calc R U . . .
H26B H 0.327662 0.664080 0.074412 0.033 Uiso 1 1 calc R U . . .
C35 C 0.12136(10) 0.55122(11) 0.26365(12) 0.0264(3) Uani 1 1 d . . . . .
H35 H 0.124834 0.597262 0.316233 0.032 Uiso 1 1 calc R U . . .
C29 C 0.35492(11) 0.63360(13) 0.47534(12) 0.0318(3) Uani 1 1 d . . . . .
H29A H 0.294370 0.648647 0.459170 0.048 Uiso 1 1 calc R U . . .
H29B H 0.389960 0.690874 0.500349 0.048 Uiso 1 1 calc R U . . .
H29C H 0.374627 0.584943 0.531298 0.048 Uiso 1 1 calc R U . . .
C32 C 0.11191(11) 0.41255(12) 0.11048(14) 0.0333(4) Uani 1 1 d . . . . .
H32 H 0.108991 0.365985 0.058636 0.040 Uiso 1 1 calc R U . . .
C24 C 0.03511(9) 0.77558(11) 0.15721(12) 0.0254(3) Uani 1 1 d . . . . .
H24A H -0.019390 0.746490 0.110315 0.038 Uiso 1 1 calc R U . . .
H24B H 0.034577 0.843097 0.139963 0.038 Uiso 1 1 calc R U . . .
H24C H 0.042224 0.768428 0.232073 0.038 Uiso 1 1 calc R U . . .
C33 C 0.11211(10) 0.38451(11) 0.21034(14) 0.0318(3) Uani 1 1 d . . . . .
H33 H 0.109468 0.319278 0.226008 0.038 Uiso 1 1 calc R U . . .
C3 C 0.10426(11) 1.07216(12) 0.11075(13) 0.0323(4) Uani 1 1 d . . . . .
H3 H 0.079695 1.109255 0.047620 0.039 Uiso 1 1 calc R U . . .
C12 C 0.65246(11) 0.74158(17) 0.47245(14) 0.0456(5) Uani 1 1 d D . . . .
C27 C 0.43160(11) 0.57276(15) 0.15794(15) 0.0410(4) Uani 1 1 d . . . . .
H27A H 0.432321 0.546853 0.091258 0.062 Uiso 1 1 calc R U . . .
H27B H 0.441804 0.521622 0.210387 0.062 Uiso 1 1 calc R U . . .
H27C H 0.476885 0.620763 0.186479 0.062 Uiso 1 1 calc R U . . .
B14 B 0.50797(10) 0.77894(11) 0.38520(13) 0.0221(3) Uani 1 1 d . . . . .
C21 C 0.6588(3) 0.8410(5) 0.6483(8) 0.0339(13) Uani 0.63(2) 1 d D . P A 1
H21A H 0.655916 0.903488 0.615381 0.051 Uiso 0.63(2) 1 calc R U P A 1
H21B H 0.719261 0.823249 0.687426 0.051 Uiso 0.63(2) 1 calc R U P A 1
H21C H 0.629513 0.843426 0.697976 0.051 Uiso 0.63(2) 1 calc R U P A 1
C22 C 0.5979(6) 0.6749(4) 0.6101(8) 0.0392(12) Uani 0.63(2) 1 d D . P A 1
H22A H 0.563007 0.689750 0.651382 0.059 Uiso 0.63(2) 1 calc R U P A 1
H22B H 0.653255 0.648268 0.657889 0.059 Uiso 0.63(2) 1 calc R U P A 1
H22C H 0.567323 0.628642 0.554194 0.059 Uiso 0.63(2) 1 calc R U P A 1
C11 C 0.6502(3) 0.6148(3) 0.4605(3) 0.0310(12) Uani 0.405(6) 1 d D . P B 1
H11A H 0.593465 0.591214 0.453019 0.047 Uiso 0.405(6) 1 calc R U P B 1
H11B H 0.694612 0.587254 0.524714 0.047 Uiso 0.405(6) 1 calc R U P B 1
H11C H 0.661291 0.596761 0.397301 0.047 Uiso 0.405(6) 1 calc R U P B 1
C11A C 0.7401(3) 0.7631(3) 0.4821(4) 0.0357(12) Uani 0.397(5) 1 d D . P B 1
H11D H 0.749563 0.735485 0.421291 0.054 Uiso 0.397(5) 1 calc R U P B 1
H11E H 0.781602 0.736218 0.549008 0.054 Uiso 0.397(5) 1 calc R U P B 1
H11F H 0.747812 0.831959 0.482481 0.054 Uiso 0.397(5) 1 calc R U P B 1
C13 C 0.7152(2) 0.6680(3) 0.4941(3) 0.0541(13) Uani 0.595(6) 1 d D . P B 2
H13A H 0.688508 0.606852 0.496598 0.081 Uiso 0.595(6) 1 calc R U P B 2
H13B H 0.762638 0.680014 0.563212 0.081 Uiso 0.595(6) 1 calc R U P B 2
H13C H 0.737563 0.666726 0.437416 0.081 Uiso 0.595(6) 1 calc R U P B 2
C11B C 0.6988(2) 0.8446(3) 0.4558(3) 0.0474(10) Uani 0.603(5) 1 d D . P B 2
H11G H 0.713729 0.839109 0.393089 0.071 Uiso 0.603(5) 1 calc R U P B 2
H11H H 0.751041 0.856917 0.519644 0.071 Uiso 0.603(5) 1 calc R U P B 2
H11I H 0.658119 0.897100 0.445018 0.071 Uiso 0.603(5) 1 calc R U P B 2
C22A C 0.6268(10) 0.6893(8) 0.6489(12) 0.035(2) Uani 0.37(2) 1 d D . P A 2
H22D H 0.606190 0.715064 0.701707 0.052 Uiso 0.37(2) 1 calc R U P A 2
H22E H 0.688132 0.673811 0.684186 0.052 Uiso 0.37(2) 1 calc R U P A 2
H22F H 0.594229 0.631829 0.616904 0.052 Uiso 0.37(2) 1 calc R U P A 2
C21A C 0.6516(5) 0.8595(7) 0.6032(16) 0.037(2) Uani 0.37(2) 1 d D . P A 2
H21D H 0.646421 0.902747 0.544457 0.056 Uiso 0.37(2) 1 calc R U P A 2
H21E H 0.712619 0.851332 0.649592 0.056 Uiso 0.37(2) 1 calc R U P A 2
H21F H 0.620887 0.886017 0.645029 0.056 Uiso 0.37(2) 1 calc R U P A 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
Si23 C30 1.8806(15) . ?
Si23 C10 1.8728(14) . ?
Si23 C25 1.8727(15) . ?
Si23 C24 1.8742(15) . ?
Si11 C7 1.9095(14) . ?
Si11 C28 1.8788(15) . ?
Si11 C10 1.8980(14) . ?
Si11 C26 1.8807(15) . ?
O13 C12 1.412(2) . ?
O13 B14 1.3636(19) . ?
O15 C16 1.4539(18) . ?
O15 B14 1.353(2) . ?
C1 C6 1.395(2) . ?
C1 C9 1.5129(19) . ?
C1 C2 1.390(2) . ?
C30 C31 1.397(2) . ?
C30 C35 1.399(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C7 1.5475(19) . ?
C8 C9 1.5422(19) . ?
C7 H7 0.9800 . ?
C7 B14 1.553(2) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.530(2) . ?
C6 H6 0.9300 . ?
C6 C5 1.383(2) . ?
C10 H10 0.9800 . ?
C10 C9 1.5595(18) . ?
C9 H9 0.9800 . ?
C16 C12 1.549(2) . ?
C16 C21 1.544(5) . ?
C16 C22 1.498(4) . ?
C16 C22A 1.548(7) . ?
C16 C21A 1.466(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.386(2) . ?
C4 C3 1.379(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.391(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C34 H34 0.9300 . ?
C34 C35 1.384(2) . ?
C34 C33 1.384(2) . ?
C5 H5 0.9300 . ?
C31 H31 0.9300 . ?
C31 C32 1.389(2) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.536(2) . ?
C35 H35 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C32 H32 0.9300 . ?
C32 C33 1.381(2) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C33 H33 0.9300 . ?
C3 H3 0.9300 . ?
C12 C11 1.758(4) . ?
C12 C11A 1.434(4) . ?
C12 C13 1.399(4) . ?
C12 C11B 1.672(4) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C11A H11D 0.9600 . ?
C11A H11E 0.9600 . ?
C11A H11F 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C11B H11G 0.9600 . ?
C11B H11H 0.9600 . ?
C11B H11I 0.9600 . ?
C22A H22D 0.9600 . ?
C22A H22E 0.9600 . ?
C22A H22F 0.9600 . ?
C21A H21D 0.9600 . ?
C21A H21E 0.9600 . ?
C21A H21F 0.9600 . ?

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
C10 Si23 C30 107.98(6) . . ?
C10 Si23 C24 111.55(6) . . ?
C25 Si23 C30 110.48(7) . . ?
C25 Si23 C10 110.81(6) . . ?
C25 Si23 C24 108.92(7) . . ?
C24 Si23 C30 107.03(6) . . ?
C28 Si11 C7 115.44(6) . . ?
C28 Si11 C10 112.49(6) . . ?
C28 Si11 C26 107.93(7) . . ?
C10 Si11 C7 95.35(6) . . ?
C26 Si11 C7 109.34(7) . . ?
C26 Si11 C10 116.10(6) . . ?
B14 O13 C12 109.58(12) . . ?
B14 O15 C16 109.04(12) . . ?
C6 C1 C9 122.23(12) . . ?
C2 C1 C6 117.77(13) . . ?
C2 C1 C9 120.00(12) . . ?
C31 C30 Si23 123.03(11) . . ?
C31 C30 C35 116.88(14) . . ?
C35 C30 Si23 120.09(11) . . ?
H8A C8 H8B 108.4 . . ?
C7 C8 H8A 110.1 . . ?
C7 C8 H8B 110.1 . . ?
C9 C8 H8A 110.1 . . ?
C9 C8 H8B 110.1 . . ?
C9 C8 C7 108.19(11) . . ?
Si11 C7 H7 106.8 . . ?
C8 C7 Si11 103.52(9) . . ?
C8 C7 H7 106.8 . . ?
C8 C7 B14 117.31(12) . . ?
B14 C7 Si11 115.02(10) . . ?
B14 C7 H7 106.8 . . ?
Si11 C28 H28A 108.3 . . ?
Si11 C28 H28B 108.3 . . ?
H28A C28 H28B 107.4 . . ?
C29 C28 Si11 115.81(11) . . ?
C29 C28 H28A 108.3 . . ?
C29 C28 H28B 108.3 . . ?
C1 C6 H6 119.5 . . ?
C5 C6 C1 121.03(13) . . ?
C5 C6 H6 119.5 . . ?
Si23 C10 Si11 118.81(7) . . ?
Si23 C10 H10 105.9 . . ?
Si11 C10 H10 105.9 . . ?
C9 C10 Si23 116.84(9) . . ?
C9 C10 Si11 102.31(9) . . ?
C9 C10 H10 105.9 . . ?
C1 C9 C8 114.04(11) . . ?
C1 C9 C10 114.76(11) . . ?
C1 C9 H9 106.9 . . ?
C8 C9 C10 106.91(11) . . ?
C8 C9 H9 106.9 . . ?
C10 C9 H9 106.9 . . ?
O15 C16 C12 103.21(12) . . ?
O15 C16 C21 110.5(3) . . ?
O15 C16 C22 101.5(4) . . ?
O15 C16 C22A 117.8(5) . . ?
O15 C16 C21A 99.8(5) . . ?
C21 C16 C12 119.9(3) . . ?
C22 C16 C12 110.9(3) . . ?
C22 C16 C21 109.2(6) . . ?
C22A C16 C12 117.0(3) . . ?
C21A C16 C12 104.6(7) . . ?
C21A C16 C22A 112.2(11) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.39(14) . . ?
C1 C2 H2 119.4 . . ?
C1 C2 C3 121.29(14) . . ?
C3 C2 H2 119.4 . . ?
Si23 C25 H25A 109.5 . . ?
Si23 C25 H25B 109.5 . . ?
Si23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C35 C34 H34 120.0 . . ?
C35 C34 C33 120.03(15) . . ?
C33 C34 H34 120.0 . . ?
C6 C5 C4 120.43(14) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C30 C31 H31 119.3 . . ?
C32 C31 C30 121.44(15) . . ?
C32 C31 H31 119.3 . . ?
Si11 C26 H26A 109.2 . . ?
Si11 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C27 C26 Si11 111.96(11) . . ?
C27 C26 H26A 109.2 . . ?
C27 C26 H26B 109.2 . . ?
C30 C35 H35 119.1 . . ?
C34 C35 C30 121.89(14) . . ?
C34 C35 H35 119.1 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C32 H32 119.8 . . ?
C33 C32 C31 120.34(15) . . ?
C33 C32 H32 119.8 . . ?
Si23 C24 H24A 109.5 . . ?
Si23 C24 H24B 109.5 . . ?
Si23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C34 C33 H33 120.3 . . ?
C32 C33 C34 119.42(15) . . ?
C32 C33 H33 120.3 . . ?
C4 C3 C2 120.07(14) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
O13 C12 C16 105.05(12) . . ?
O13 C12 C11 88.48(18) . . ?
O13 C12 C11A 121.4(2) . . ?
O13 C12 C11B 95.56(16) . . ?
C16 C12 C11 106.14(18) . . ?
C16 C12 C11B 105.07(18) . . ?
C11A C12 C16 125.9(2) . . ?
C11A C12 C11 101.5(3) . . ?
C13 C12 O13 120.4(2) . . ?
C13 C12 C16 119.4(2) . . ?
C13 C12 C11B 107.8(3) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O13 B14 C7 122.59(13) . . ?
O15 B14 O13 112.39(13) . . ?
O15 B14 C7 125.00(13) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C16 C22 H22A 109.5 . . ?
C16 C22 H22B 109.5 . . ?
C16 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 C11A H11D 109.5 . . ?
C12 C11A H11E 109.5 . . ?
C12 C11A H11F 109.5 . . ?
H11D C11A H11E 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C11B H11G 109.5 . . ?
C12 C11B H11H 109.5 . . ?
C12 C11B H11I 109.5 . . ?
H11G C11B H11H 109.5 . . ?
H11G C11B H11I 109.5 . . ?
H11H C11B H11I 109.5 . . ?
C16 C22A H22D 109.5 . . ?
C16 C22A H22E 109.5 . . ?
C16 C22A H22F 109.5 . . ?
H22D C22A H22E 109.5 . . ?
H22D C22A H22F 109.5 . . ?
H22E C22A H22F 109.5 . . ?
C16 C21A H21D 109.5 . . ?
C16 C21A H21E 109.5 . . ?
C16 C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 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
Si23 C30 C31 C32 179.19(12) . . . . ?
Si23 C30 C35 C34 -179.91(12) . . . . ?
Si23 C10 C9 C1 58.12(14) . . . . ?
Si23 C10 C9 C8 -174.35(9) . . . . ?
Si11 C7 B14 O13 92.42(16) . . . . ?
Si11 C7 B14 O15 -86.30(18) . . . . ?
Si11 C10 C9 C1 -170.34(9) . . . . ?
Si11 C10 C9 C8 -42.81(11) . . . . ?
O15 C16 C12 O13 -8.43(19) . . . . ?
O15 C16 C12 C11 -101.25(19) . . . . ?
O15 C16 C12 C11A 141.0(3) . . . . ?
O15 C16 C12 C13 -147.3(3) . . . . ?
O15 C16 C12 C11B 91.73(17) . . . . ?
C1 C6 C5 C4 -1.1(2) . . . . ?
C1 C2 C3 C4 -0.2(2) . . . . ?
C30 Si23 C10 Si11 45.09(9) . . . . ?
C30 Si23 C10 C9 168.52(9) . . . . ?
C30 C31 C32 C33 0.7(2) . . . . ?
C8 C7 B14 O13 -145.48(14) . . . . ?
C8 C7 B14 O15 35.8(2) . . . . ?
C7 Si11 C28 C29 64.33(13) . . . . ?
C7 Si11 C10 Si23 149.44(8) . . . . ?
C7 Si11 C10 C9 19.10(9) . . . . ?
C7 Si11 C26 C27 65.88(13) . . . . ?
C7 C8 C9 C1 -178.52(11) . . . . ?
C7 C8 C9 C10 53.53(14) . . . . ?
C28 Si11 C10 Si23 -90.18(9) . . . . ?
C28 Si11 C10 C9 139.48(9) . . . . ?
C28 Si11 C26 C27 -60.42(14) . . . . ?
C6 C1 C9 C8 -65.50(17) . . . . ?
C6 C1 C9 C10 58.32(17) . . . . ?
C6 C1 C2 C3 -0.8(2) . . . . ?
C10 Si23 C30 C31 -115.98(12) . . . . ?
C10 Si23 C30 C35 63.97(12) . . . . ?
C10 Si11 C28 C29 -43.65(13) . . . . ?
C10 Si11 C26 C27 172.27(11) . . . . ?
C9 C1 C6 C5 -177.88(13) . . . . ?
C9 C1 C2 C3 178.52(14) . . . . ?
C9 C8 C7 Si11 -35.59(12) . . . . ?
C9 C8 C7 B14 -163.45(12) . . . . ?
C16 O15 B14 O13 -3.7(2) . . . . ?
C16 O15 B14 C7 175.16(14) . . . . ?
C2 C1 C6 C5 1.4(2) . . . . ?
C2 C1 C9 C8 115.20(14) . . . . ?
C2 C1 C9 C10 -120.99(14) . . . . ?
C25 Si23 C30 C31 5.35(14) . . . . ?
C25 Si23 C30 C35 -174.70(11) . . . . ?
C25 Si23 C10 Si11 -76.04(9) . . . . ?
C25 Si23 C10 C9 47.39(12) . . . . ?
C5 C4 C3 C2 0.6(2) . . . . ?
C31 C30 C35 C34 0.0(2) . . . . ?
C31 C32 C33 C34 0.1(2) . . . . ?
C26 Si11 C28 C29 -173.02(11) . . . . ?
C26 Si11 C10 Si23 34.84(10) . . . . ?
C26 Si11 C10 C9 -95.50(10) . . . . ?
C35 C30 C31 C32 -0.8(2) . . . . ?
C35 C34 C33 C32 -0.8(2) . . . . ?
C24 Si23 C30 C31 123.80(12) . . . . ?
C24 Si23 C30 C35 -56.25(13) . . . . ?
C24 Si23 C10 Si11 162.43(7) . . . . ?
C24 Si23 C10 C9 -74.14(11) . . . . ?
C33 C34 C35 C30 0.8(2) . . . . ?
C3 C4 C5 C6 0.0(2) . . . . ?
C12 O13 B14 O15 -2.3(2) . . . . ?
C12 O13 B14 C7 178.87(15) . . . . ?
B14 O13 C12 C16 6.7(2) . . . . ?
B14 O13 C12 C11 113.04(18) . . . . ?
B14 O13 C12 C11A -144.4(3) . . . . ?
B14 O13 C12 C13 145.1(3) . . . . ?
B14 O13 C12 C11B -100.53(18) . . . . ?
B14 O15 C16 C12 7.37(19) . . . . ?
B14 O15 C16 C21 136.8(4) . . . . ?
B14 O15 C16 C22 -107.6(4) . . . . ?
B14 O15 C16 C22A -123.3(6) . . . . ?
B14 O15 C16 C21A 115.0(8) . . . . ?
C21 C16 C12 O13 -131.8(4) . . . . ?
C21 C16 C12 C11 135.4(5) . . . . ?
C21 C16 C12 C11A 17.6(5) . . . . ?
C22 C16 C12 O13 99.5(5) . . . . ?
C22 C16 C12 C11 6.7(5) . . . . ?
C22 C16 C12 C11A -111.1(5) . . . . ?
C22A C16 C12 O13 122.7(8) . . . . ?
C22A C16 C12 C13 -16.1(8) . . . . ?
C22A C16 C12 C11B -137.1(8) . . . . ?
C21A C16 C12 O13 -112.4(6) . . . . ?
C21A C16 C12 C13 108.7(7) . . . . ?
C21A C16 C12 C11B -12.3(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_full_max 1.087
_oxdiff_exptl_absorpt_empirical_full_min 0.902

####################################################################### 
# 
# 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_exp_2271_auto
_database_code_depnum_ccdc_archive 'CCDC 2524633'
loop_
_audit_author_name
_audit_author_address
'Daigo Hayashi'
;The University of Osaka
Japan
;
_audit_update_record             
;
2026-01-21 deposited with the CCDC.	2026-03-31 downloaded from the CCDC.
;
_audit_creation_date             2025-02-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_formula_moiety         'C29 H45 B O2 Si2'
_chemical_formula_sum            'C29 H45 B O2 Si2'
_chemical_formula_weight         492.64
_chemical_oxdiff_formula         C29H45BO2Si2
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'
B B 0.0090 0.0039 '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'

_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.2241(2)
_cell_length_b                   14.3979(2)
_cell_length_c                   13.2285(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.7620(10)
_cell_angle_gamma                90
_cell_volume                     2896.25(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14677
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      75.7850
_cell_measurement_theta_min      2.8930

_exptl_absorpt_coefficient_mu    1.274
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.119a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_description       prism
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.649
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.103

_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21625
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.127
_diffrn_reflns_theta_min         2.906
_diffrn_ambient_temperature      113(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    106.00 164.00   0.50    0.60    --  102.75  45.00 120.00  116
  2  ω     63.00  88.00   0.50    0.15    --   48.50 162.00  13.00   50
  3  ω    113.00 140.00   0.50    0.60    --  102.75 117.00-136.00   54
  4  ω    129.00 168.00   0.50    0.60    --  102.75  15.00-120.00   78
  5  ω     44.00 100.00   0.50    0.60    --  102.75 -94.00 -30.00  112
  6  ω     47.00 118.00   0.50    0.15    --   48.50-162.00 -14.00  142
  7  ω     62.00 102.00   0.50    0.60    --  102.75-117.00 135.00   80
  8  ω     14.00  73.00   0.50    0.15    --   48.50-117.00 135.00  118
  9  ω    104.00 135.00   0.50    0.60    --  102.75-162.00 -14.00   62
 10  ω     32.00  71.00   0.50    0.60    --  102.75 -61.00-120.00   78
 11  ω     37.00  67.00   0.50    0.60    --  102.75 -61.00 -90.00   60
 12  ω     31.00  78.00   0.50    0.60    --  102.75 -61.00 -60.00   94
 13  ω     34.00  79.00   0.50    0.60    --  102.75 -61.00   0.00   90
 14  ω    -23.00   4.00   0.50    0.15    --   48.50 -19.00-150.00   54
 15  ω     -6.00  19.00   0.50    0.15    --  -48.50  19.00-150.00   50
 16  ω    -62.00 -37.00   0.50    0.60    -- -102.00  61.00-180.00   50
 17  ω    -74.00 -49.00   0.50    0.60    -- -102.00  61.00-150.00   50
 18  ω     -6.00  21.00   0.50    0.15    --  -48.50  19.00  60.00   54
 19  ω     -4.00  26.00   0.50    0.15    --  -48.50  19.00  30.00   60
 20  ω    -72.00 -47.00   0.50    0.15    --  -48.50 117.00-136.00   50
 21  ω   -107.00 -70.00   0.50    0.60    -- -102.00 117.00-136.00   74
 22  ω   -168.00 -97.00   0.50    0.60    -- -102.00 -15.00 -60.00  142
 23  ω   -175.00 -92.00   0.50    0.60    -- -102.00 -30.00  30.00  166
 24  ω   -126.00 -81.00   0.50    0.60    -- -102.00-117.00 135.00   90
 25  ω   -100.00 -72.00   0.50    0.15    --  -48.50-162.00 -14.00   56
 26  ω   -116.00 -74.00   0.50    0.15    --  -48.50-125.00 -60.00   84
 27  ω   -119.00 -92.00   0.50    0.60    -- -102.00-162.00 -14.00   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1001951000
_diffrn_orient_matrix_UB_12      -0.0137334000
_diffrn_orient_matrix_UB_13      -0.0136939000
_diffrn_orient_matrix_UB_21      0.0008645000
_diffrn_orient_matrix_UB_22      -0.0566968000
_diffrn_orient_matrix_UB_23      0.0987755000
_diffrn_orient_matrix_UB_31      -0.0148387000
_diffrn_orient_matrix_UB_32      0.0897495000
_diffrn_orient_matrix_UB_33      0.0603578000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5328
_reflns_number_total             5818
_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       'CrysAlisPro 1.171.43.119a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.119a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.119a (Rigaku OD, 2024)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.776
_refine_diff_density_min         -0.513
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5818
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0495
_refine_ls_restrained_S_all      1.039
_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)+(0.0984P)²+0.7803P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1356
_refine_ls_wR_factor_ref         0.1413
_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.a Ternary CH refined with riding coordinates:
 C7(H7), C10(H10), C8(H8), C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B), C26(H26A,H26B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C4(H4), C2(H2), C30(H30), C33(H33), C34(H34), C32(H32), C5(H5),
 C3(H3), C31(H31)
2.d Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C23(H23A,H23B,H23C), C22(H22A,H22B,H22C), C25(H25A,H25B,
 H25C), C27(H27A,H27B,H27C), C19(H19A,H19B,H19C), C18(H18A,H18B,H18C), C20(H20A,
 H20B,H20C), C17(H17A,H17B,H17C)
;
_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
Si11 Si 0.66647(3) 0.68012(3) 0.56538(3) 0.02312(13) Uani 1 1 d . . . . .
Si21 Si 0.87683(3) 0.71345(3) 0.56522(3) 0.02437(13) Uani 1 1 d . . . . .
O16 O 0.42643(8) 0.72033(9) 0.55824(8) 0.0337(3) Uani 1 1 d . . . . .
O13 O 0.47571(7) 0.79615(8) 0.70115(8) 0.0309(3) Uani 1 1 d . . . . .
C7 C 0.76624(10) 0.75423(10) 0.60231(10) 0.0234(3) Uani 1 1 d . . . . .
H7 H 0.769217 0.756612 0.676430 0.028 Uiso 1 1 calc R U . . .
C29 C 0.88469(10) 0.58621(11) 0.59781(11) 0.0267(3) Uani 1 1 d . . . . .
C10 C 0.58569(10) 0.78093(10) 0.55909(11) 0.0252(3) Uani 1 1 d . . . . .
H10 H 0.572894 0.793448 0.487061 0.030 Uiso 1 1 calc R U . . .
C8 C 0.73502(10) 0.85256(10) 0.56600(10) 0.0241(3) Uani 1 1 d . . . . .
H8 H 0.731291 0.851066 0.491851 0.029 Uiso 1 1 calc R U . . .
C9 C 0.64008(10) 0.86463(10) 0.60076(11) 0.0253(3) Uani 1 1 d . . . . .
H9 H 0.641895 0.861630 0.674841 0.030 Uiso 1 1 calc R U . . .
C14 C 0.38983(10) 0.75863(11) 0.72358(12) 0.0295(3) Uani 1 1 d . . . . .
C1 C 0.79641(10) 0.93129(10) 0.59663(11) 0.0253(3) Uani 1 1 d . . . . .
C6 C 0.81414(11) 0.95478(11) 0.69809(11) 0.0306(3) Uani 1 1 d . . . . .
H6 H 0.787135 0.921862 0.748501 0.037 Uiso 1 1 calc R U . . .
C15 C 0.34893(11) 0.73638(12) 0.61606(12) 0.0317(3) Uani 1 1 d . . . . .
C4 C 0.91186(12) 1.07699(12) 0.65051(14) 0.0376(4) Uani 1 1 d . . . . .
H4 H 0.950299 1.125097 0.668420 0.045 Uiso 1 1 calc R U . . .
C2 C 0.83695(11) 0.98298(12) 0.52350(12) 0.0321(3) Uani 1 1 d . . . . .
H2 H 0.825443 0.969113 0.455478 0.038 Uiso 1 1 calc R U . . .
C24 C 0.66844(11) 0.62504(11) 0.43652(11) 0.0287(3) Uani 1 1 d . . . . .
H24A H 0.681677 0.672161 0.387102 0.034 Uiso 1 1 calc R U . . .
H24B H 0.714832 0.578854 0.436809 0.034 Uiso 1 1 calc R U . . .
C30 C 0.89152(11) 0.51687(12) 0.52511(12) 0.0340(4) Uani 1 1 d . . . . .
H30 H 0.893560 0.533337 0.457282 0.041 Uiso 1 1 calc R U . . .
C33 C 0.88663(12) 0.46464(13) 0.72588(13) 0.0378(4) Uani 1 1 d . . . . .
H33 H 0.885035 0.447629 0.793591 0.045 Uiso 1 1 calc R U . . .
C26 C 0.64340(11) 0.58768(11) 0.66022(11) 0.0294(3) Uani 1 1 d . . . . .
H26A H 0.584560 0.563954 0.645356 0.035 Uiso 1 1 calc R U . . .
H26B H 0.684150 0.536825 0.651555 0.035 Uiso 1 1 calc R U . . .
C34 C 0.88267(11) 0.55761(12) 0.69862(12) 0.0321(3) Uani 1 1 d . . . . .
H34 H 0.878533 0.602282 0.748947 0.038 Uiso 1 1 calc R U . . .
C32 C 0.89294(11) 0.39746(12) 0.65214(15) 0.0375(4) Uani 1 1 d . . . . .
H32 H 0.895558 0.334973 0.669829 0.045 Uiso 1 1 calc R U . . .
C28 C 0.59882(11) 0.95707(11) 0.56843(13) 0.0329(3) Uani 1 1 d . . . . .
H28A H 0.591623 0.959165 0.495969 0.049 Uiso 1 1 calc R U . . .
H28B H 0.636388 1.007017 0.591637 0.049 Uiso 1 1 calc R U . . .
H28C H 0.542469 0.963244 0.597318 0.049 Uiso 1 1 calc R U . . .
C5 C 0.87148(12) 1.02654(12) 0.72452(12) 0.0358(4) Uani 1 1 d . . . . .
H5 H 0.882947 1.040935 0.792416 0.043 Uiso 1 1 calc R U . . .
C23 C 0.96848(11) 0.77399(12) 0.63840(13) 0.0320(3) Uani 1 1 d . . . . .
H23A H 0.966263 0.839283 0.623791 0.048 Uiso 1 1 calc R U . . .
H23B H 1.023861 0.749252 0.619369 0.048 Uiso 1 1 calc R U . . .
H23C H 0.962249 0.764442 0.709518 0.048 Uiso 1 1 calc R U . . .
C3 C 0.89440(12) 1.05504(13) 0.54987(13) 0.0380(4) Uani 1 1 d . . . . .
H3 H 0.921121 1.088521 0.499667 0.046 Uiso 1 1 calc R U . . .
C22 C 0.89115(11) 0.73232(12) 0.42695(12) 0.0326(3) Uani 1 1 d . . . . .
H22A H 0.844072 0.702469 0.388521 0.049 Uiso 1 1 calc R U . . .
H22B H 0.946315 0.706453 0.408736 0.049 Uiso 1 1 calc R U . . .
H22C H 0.890394 0.797695 0.412689 0.049 Uiso 1 1 calc R U . . .
C31 C 0.89534(12) 0.42373(12) 0.55193(14) 0.0386(4) Uani 1 1 d . . . . .
H31 H 0.899543 0.378659 0.502031 0.046 Uiso 1 1 calc R U . . .
C25 C 0.58049(12) 0.57872(13) 0.40517(13) 0.0373(4) Uani 1 1 d . . . . .
H25A H 0.581957 0.557657 0.336421 0.056 Uiso 1 1 calc R U . . .
H25B H 0.533655 0.622794 0.410781 0.056 Uiso 1 1 calc R U . . .
H25C H 0.570842 0.526738 0.448712 0.056 Uiso 1 1 calc R U . . .
C27 C 0.65031(13) 0.61829(13) 0.77149(12) 0.0374(4) Uani 1 1 d . . . . .
H27A H 0.611699 0.669952 0.780951 0.056 Uiso 1 1 calc R U . . .
H27B H 0.709742 0.636397 0.789293 0.056 Uiso 1 1 calc R U . . .
H27C H 0.633803 0.567651 0.813810 0.056 Uiso 1 1 calc R U . . .
B12 B 0.49534(12) 0.76582(12) 0.60666(13) 0.0258(3) Uani 1 1 d . . . . .
C19 C 0.34065(13) 0.83005(14) 0.78337(15) 0.0445(4) Uani 1 1 d . . . . .
H19A H 0.369816 0.838120 0.848746 0.067 Uiso 1 1 calc R U . . .
H19B H 0.281546 0.809068 0.791424 0.067 Uiso 1 1 calc R U . . .
H19C H 0.339473 0.888178 0.747770 0.067 Uiso 1 1 calc R U . . .
C18 C 0.40627(13) 0.67205(15) 0.78778(15) 0.0441(4) Uani 1 1 d . . . . .
H18A H 0.436752 0.626681 0.749467 0.066 Uiso 1 1 calc R U . . .
H18B H 0.351071 0.646872 0.806845 0.066 Uiso 1 1 calc R U . . .
H18C H 0.441346 0.687997 0.847509 0.066 Uiso 1 1 calc R U . . .
C20 C 0.29157(14) 0.65068(16) 0.60985(17) 0.0517(5) Uani 1 1 d . . . . .
H20A H 0.273505 0.638978 0.540488 0.078 Uiso 1 1 calc R U . . .
H20B H 0.240598 0.660268 0.648555 0.078 Uiso 1 1 calc R U . . .
H20C H 0.324168 0.598367 0.636564 0.078 Uiso 1 1 calc R U . . .
C17 C 0.30069(14) 0.81868(17) 0.56734(17) 0.0525(5) Uani 1 1 d . . . . .
H17A H 0.338285 0.872235 0.570362 0.079 Uiso 1 1 calc R U . . .
H17B H 0.248524 0.831290 0.602953 0.079 Uiso 1 1 calc R U . . .
H17C H 0.284799 0.804464 0.497947 0.079 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
Si11 C7 1.9007(15) . ?
Si11 C10 1.9016(15) . ?
Si11 C24 1.8816(15) . ?
Si11 C26 1.8739(16) . ?
Si21 C7 1.8707(15) . ?
Si21 C29 1.8846(16) . ?
Si21 C23 1.8744(17) . ?
Si21 C22 1.8722(16) . ?
O16 C15 1.4551(19) . ?
O16 B12 1.369(2) . ?
O13 C14 1.4584(19) . ?
O13 B12 1.371(2) . ?
C7 H7 0.9800 . ?
C7 C8 1.5618(19) . ?
C29 C30 1.394(2) . ?
C29 C34 1.397(2) . ?
C10 H10 0.9800 . ?
C10 C9 1.549(2) . ?
C10 B12 1.555(2) . ?
C8 H8 0.9800 . ?
C8 C9 1.548(2) . ?
C8 C1 1.512(2) . ?
C9 H9 0.9800 . ?
C9 C28 1.524(2) . ?
C14 C15 1.558(2) . ?
C14 C19 1.517(2) . ?
C14 C18 1.522(2) . ?
C1 C6 1.398(2) . ?
C1 C2 1.389(2) . ?
C6 H6 0.9300 . ?
C6 C5 1.386(2) . ?
C15 C20 1.512(3) . ?
C15 C17 1.521(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.386(2) . ?
C4 C3 1.382(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.391(2) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.535(2) . ?
C30 H30 0.9300 . ?
C30 C31 1.388(3) . ?
C33 H33 0.9300 . ?
C33 C34 1.387(2) . ?
C33 C32 1.380(3) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.535(2) . ?
C34 H34 0.9300 . ?
C32 H32 0.9300 . ?
C32 C31 1.381(3) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C5 H5 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C3 H3 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C31 H31 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?

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
C7 Si11 C10 95.16(6) . . ?
C24 Si11 C7 114.96(7) . . ?
C24 Si11 C10 108.69(7) . . ?
C26 Si11 C7 113.57(7) . . ?
C26 Si11 C10 115.45(7) . . ?
C26 Si11 C24 108.60(7) . . ?
C7 Si21 C29 107.04(7) . . ?
C7 Si21 C23 112.06(7) . . ?
C7 Si21 C22 111.06(7) . . ?
C23 Si21 C29 107.24(7) . . ?
C22 Si21 C29 110.82(7) . . ?
C22 Si21 C23 108.56(8) . . ?
B12 O16 C15 107.49(12) . . ?
B12 O13 C14 107.73(12) . . ?
Si11 C7 H7 105.9 . . ?
Si21 C7 Si11 118.33(8) . . ?
Si21 C7 H7 105.9 . . ?
C8 C7 Si11 101.67(9) . . ?
C8 C7 Si21 117.92(10) . . ?
C8 C7 H7 105.9 . . ?
C30 C29 Si21 123.00(12) . . ?
C30 C29 C34 116.96(15) . . ?
C34 C29 Si21 120.04(12) . . ?
Si11 C10 H10 106.3 . . ?
C9 C10 Si11 104.17(10) . . ?
C9 C10 H10 106.3 . . ?
C9 C10 B12 115.66(12) . . ?
B12 C10 Si11 117.27(11) . . ?
B12 C10 H10 106.3 . . ?
C7 C8 H8 106.9 . . ?
C9 C8 C7 106.57(11) . . ?
C9 C8 H8 106.9 . . ?
C1 C8 C7 114.97(12) . . ?
C1 C8 H8 106.9 . . ?
C1 C8 C9 114.22(12) . . ?
C10 C9 H9 108.1 . . ?
C8 C9 C10 107.33(12) . . ?
C8 C9 H9 108.1 . . ?
C28 C9 C10 111.94(13) . . ?
C28 C9 C8 113.13(13) . . ?
C28 C9 H9 108.1 . . ?
O13 C14 C15 102.31(12) . . ?
O13 C14 C19 108.95(13) . . ?
O13 C14 C18 106.98(14) . . ?
C19 C14 C15 115.45(15) . . ?
C19 C14 C18 109.65(15) . . ?
C18 C14 C15 112.87(15) . . ?
C6 C1 C8 121.80(13) . . ?
C2 C1 C8 120.32(13) . . ?
C2 C1 C6 117.88(14) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 C1 120.84(14) . . ?
C5 C6 H6 119.6 . . ?
O16 C15 C14 102.35(12) . . ?
O16 C15 C20 108.83(14) . . ?
O16 C15 C17 106.75(14) . . ?
C20 C15 C14 114.95(15) . . ?
C20 C15 C17 110.30(17) . . ?
C17 C15 C14 112.97(16) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C3 C4 C5 119.30(16) . . ?
C1 C2 H2 119.3 . . ?
C1 C2 C3 121.36(15) . . ?
C3 C2 H2 119.3 . . ?
Si11 C24 H24A 109.2 . . ?
Si11 C24 H24B 109.2 . . ?
H24A C24 H24B 107.9 . . ?
C25 C24 Si11 112.09(11) . . ?
C25 C24 H24A 109.2 . . ?
C25 C24 H24B 109.2 . . ?
C29 C30 H30 119.4 . . ?
C31 C30 C29 121.30(16) . . ?
C31 C30 H30 119.4 . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C32 C33 C34 119.75(16) . . ?
Si11 C26 H26A 108.4 . . ?
Si11 C26 H26B 108.4 . . ?
H26A C26 H26B 107.4 . . ?
C27 C26 Si11 115.57(11) . . ?
C27 C26 H26A 108.4 . . ?
C27 C26 H26B 108.4 . . ?
C29 C34 H34 119.0 . . ?
C33 C34 C29 122.00(15) . . ?
C33 C34 H34 119.0 . . ?
C33 C32 H32 120.2 . . ?
C33 C32 C31 119.51(16) . . ?
C31 C32 H32 120.2 . . ?
C9 C28 H28A 109.5 . . ?
C9 C28 H28B 109.5 . . ?
C9 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C6 C5 H5 119.8 . . ?
C4 C5 C6 120.50(15) . . ?
C4 C5 H5 119.8 . . ?
Si21 C23 H23A 109.5 . . ?
Si21 C23 H23B 109.5 . . ?
Si21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C4 C3 C2 120.13(15) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
Si21 C22 H22A 109.5 . . ?
Si21 C22 H22B 109.5 . . ?
Si21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C30 C31 H31 119.8 . . ?
C32 C31 C30 120.49(16) . . ?
C32 C31 H31 119.8 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O16 B12 O13 112.53(14) . . ?
O16 B12 C10 123.39(14) . . ?
O13 B12 C10 124.08(14) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 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
Si11 C7 C8 C9 44.93(11) . . . . ?
Si11 C7 C8 C1 172.58(10) . . . . ?
Si11 C10 C9 C8 35.13(12) . . . . ?
Si11 C10 C9 C28 159.84(10) . . . . ?
Si11 C10 B12 O16 -80.90(17) . . . . ?
Si11 C10 B12 O13 99.03(16) . . . . ?
Si21 C7 C8 C9 176.07(9) . . . . ?
Si21 C7 C8 C1 -56.28(15) . . . . ?
Si21 C29 C30 C31 -178.64(14) . . . . ?
Si21 C29 C34 C33 178.79(14) . . . . ?
O13 C14 C15 O16 26.87(15) . . . . ?
O13 C14 C15 C20 144.67(15) . . . . ?
O13 C14 C15 C17 -87.53(16) . . . . ?
C7 Si11 C24 C25 -171.37(11) . . . . ?
C7 Si11 C26 C27 43.76(15) . . . . ?
C7 Si21 C29 C30 115.42(14) . . . . ?
C7 Si21 C29 C34 -63.75(14) . . . . ?
C7 C8 C9 C10 -54.49(14) . . . . ?
C7 C8 C9 C28 -178.48(12) . . . . ?
C7 C8 C1 C6 -63.79(18) . . . . ?
C7 C8 C1 C2 116.41(15) . . . . ?
C29 Si21 C7 Si11 -45.97(10) . . . . ?
C29 Si21 C7 C8 -169.05(10) . . . . ?
C29 C30 C31 C32 -0.4(3) . . . . ?
C10 Si11 C24 C25 -66.17(13) . . . . ?
C10 Si11 C26 C27 -64.68(14) . . . . ?
C8 C1 C6 C5 179.22(15) . . . . ?
C8 C1 C2 C3 -179.29(15) . . . . ?
C9 C10 B12 O16 155.51(14) . . . . ?
C9 C10 B12 O13 -24.6(2) . . . . ?
C9 C8 C1 C6 59.89(19) . . . . ?
C9 C8 C1 C2 -119.91(15) . . . . ?
C14 O13 B12 O16 7.18(18) . . . . ?
C14 O13 B12 C10 -172.75(14) . . . . ?
C1 C8 C9 C10 177.42(11) . . . . ?
C1 C8 C9 C28 53.43(16) . . . . ?
C1 C6 C5 C4 0.5(3) . . . . ?
C1 C2 C3 C4 -0.4(3) . . . . ?
C6 C1 C2 C3 0.9(2) . . . . ?
C15 O16 B12 O13 11.56(18) . . . . ?
C15 O16 B12 C10 -168.51(14) . . . . ?
C2 C1 C6 C5 -1.0(2) . . . . ?
C24 Si11 C26 C27 173.00(12) . . . . ?
C30 C29 C34 C33 -0.4(2) . . . . ?
C33 C32 C31 C30 0.1(3) . . . . ?
C26 Si11 C24 C25 60.17(13) . . . . ?
C34 C29 C30 C31 0.5(3) . . . . ?
C34 C33 C32 C31 0.1(3) . . . . ?
C32 C33 C34 C29 0.1(3) . . . . ?
C5 C4 C3 C2 -0.1(3) . . . . ?
C23 Si21 C7 Si11 -163.28(8) . . . . ?
C23 Si21 C7 C8 73.64(12) . . . . ?
C23 Si21 C29 C30 -124.16(14) . . . . ?
C23 Si21 C29 C34 56.68(14) . . . . ?
C3 C4 C5 C6 0.0(3) . . . . ?
C22 Si21 C7 Si11 75.12(10) . . . . ?
C22 Si21 C7 C8 -47.96(13) . . . . ?
C22 Si21 C29 C30 -5.82(16) . . . . ?
C22 Si21 C29 C34 175.02(13) . . . . ?
B12 O16 C15 C14 -23.71(16) . . . . ?
B12 O16 C15 C20 -145.78(16) . . . . ?
B12 O16 C15 C17 95.18(17) . . . . ?
B12 O13 C14 C15 -21.17(16) . . . . ?
B12 O13 C14 C19 -143.86(15) . . . . ?
B12 O13 C14 C18 97.68(16) . . . . ?
B12 C10 C9 C8 165.34(12) . . . . ?
B12 C10 C9 C28 -69.95(16) . . . . ?
C19 C14 C15 O16 145.03(14) . . . . ?
C19 C14 C15 C20 -97.16(19) . . . . ?
C19 C14 C15 C17 30.6(2) . . . . ?
C18 C14 C15 O16 -87.74(16) . . . . ?
C18 C14 C15 C20 30.1(2) . . . . ?
C18 C14 C15 C17 157.86(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.928
_oxdiff_exptl_absorpt_empirical_full_min 0.508
