# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_r20231011b
_database_code_depnum_ccdc_archive 'CCDC 2354348'
loop_
_audit_author_name
_audit_author_address
'rong hua'
;Nankai university
China
;
_audit_update_record             
;
2024-05-09 deposited with the CCDC.	2024-11-25 downloaded from the CCDC.
;
_audit_creation_date             2023-10-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C37 H50 O4 Si'
_chemical_formula_sum            'C37 H50 O4 Si'
_chemical_formula_weight         586.86
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         C37H50O4Si1
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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.62167(13)
_cell_length_b                   10.50225(11)
_cell_length_c                   15.14865(15)
_cell_angle_alpha                90
_cell_angle_beta                 93.6459(10)
_cell_angle_gamma                90
_cell_volume                     1686.43(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    19166
_cell_measurement_temperature    113.15
_cell_measurement_theta_max      31.7270
_cell_measurement_theta_min      1.9090
_shelx_estimated_absorpt_T_max   0.985
_shelx_estimated_absorpt_T_min   0.971
_exptl_absorpt_coefficient_mu    0.106
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55271
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0623
_diffrn_reflns_av_unetI/netI     0.0438
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38186
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.575
_diffrn_reflns_theta_min         1.921
_diffrn_ambient_temperature      113.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -41.00  73.00   1.00    5.00    --  -16.40  34.00  32.00  114
  2  ω   -106.00   8.00   1.00    5.00    --  -16.40 -34.00-125.00  114
  3  ω   -106.00   8.00   1.00    5.00    --  -16.40 -38.00 120.00  114
  4  ω    -30.00  40.00   1.00    5.00    --  -16.40  38.00 150.00   70
  5  ω    -42.00  73.00   1.00    5.00    --  -16.40  57.00  90.00  115
  6  ω    -93.00   7.00   1.00    5.00    --  -16.40 -38.00  30.00  100
  7  ω    -41.00  72.00   1.00    5.00    --  -16.40  38.00-180.00  113
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RCD3): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0618470000
_diffrn_orient_matrix_UB_12      -0.0204714000
_diffrn_orient_matrix_UB_13      0.0136344000
_diffrn_orient_matrix_UB_21      0.0219818000
_diffrn_orient_matrix_UB_22      0.0216123000
_diffrn_orient_matrix_UB_23      -0.0406215000
_diffrn_orient_matrix_UB_31      0.0130517000
_diffrn_orient_matrix_UB_32      0.0606294000
_diffrn_orient_matrix_UB_33      0.0190876000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.903
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                9105
_reflns_number_total             9443
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     29.51
_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 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.415
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.050
_refine_ls_abs_structure_details 
;
 Flack x determined using 3929 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.06(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         9443
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0447
_refine_ls_restrained_S_all      1.068
_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)+(0.0625P)²+0.1546P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1083
_refine_ls_wR_factor_ref         0.1097
_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
 O3-H3 = O2-H2
 0.85 with sigma of 0.02
3.a Ternary CH refined with riding coordinates:
 C1(H1), C3(H3A), C4(H4), C5(H5), C6(H6), C8(H8)
3.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C10(H10A,H10B)
3.c Aromatic/amide H refined with riding coordinates:
 C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C33(H33), C34(H34),
 C35(H35), C36(H36), C37(H37)
3.d X=CH2 refined with riding coordinates:
 C15(H15A,H15B), C18(H18A,H18B)
3.e Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C16(H16A,H16B,H16C), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,
 H25B,H25C)
;
_atom_sites_solution_hydrogens   mixed
_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
Si1 Si -0.75383(5) -0.44772(5) -0.15088(3) 0.01607(12) Uani 1 1 d . . . . .
O1 O -0.65141(13) -0.45017(15) -0.22723(9) 0.0202(3) Uani 1 1 d . . . . .
O2 O -0.57292(14) -0.42903(13) -0.50966(9) 0.0180(3) Uani 1 1 d D . . . .
H2 H -0.622(3) -0.393(3) -0.477(2) 0.042(9) Uiso 1 1 d D . . . .
O3 O -0.29475(15) -0.72255(14) -0.55456(10) 0.0207(3) Uani 1 1 d D . . . .
H3 H -0.230(3) -0.719(4) -0.522(2) 0.050(10) Uiso 1 1 d D . . . .
O4 O -0.21466(16) -0.46919(16) -0.61153(10) 0.0281(3) Uani 1 1 d . . . . .
C1 C -0.68919(18) -0.61111(19) -0.45287(13) 0.0180(4) Uani 1 1 d . . . . .
H1 H -0.675787 -0.702133 -0.435317 0.022 Uiso 1 1 calc R . . . .
C2 C -0.72498(18) -0.5373(2) -0.37034(13) 0.0178(4) Uani 1 1 d . . . . .
H2A H -0.744072 -0.448027 -0.387344 0.021 Uiso 1 1 calc R . . . .
H2B H -0.802667 -0.574993 -0.348631 0.021 Uiso 1 1 calc R . . . .
C3 C -0.62196(18) -0.53787(19) -0.29504(12) 0.0160(3) Uani 1 1 d . . . . .
H3A H -0.615595 -0.625402 -0.269162 0.019 Uiso 1 1 calc R . . . .
C4 C -0.49160(17) -0.49831(18) -0.32483(12) 0.0147(3) Uani 1 1 d . . . . .
H4 H -0.497537 -0.407055 -0.343461 0.018 Uiso 1 1 calc R . . . .
C5 C -0.46096(17) -0.57685(18) -0.40652(12) 0.0143(3) Uani 1 1 d . . . . .
H5 H -0.457739 -0.668852 -0.389507 0.017 Uiso 1 1 calc R . . . .
C6 C -0.33862(18) -0.54348(19) -0.45069(12) 0.0163(3) Uani 1 1 d . . . . .
H6 H -0.337367 -0.448977 -0.458674 0.020 Uiso 1 1 calc R . . . .
C7 C -0.3622(2) -0.60438(18) -0.54505(12) 0.0172(4) Uani 1 1 d . . . . .
C8 C -0.50497(19) -0.63002(18) -0.55931(12) 0.0177(4) Uani 1 1 d . . . . .
H8 H -0.521855 -0.723447 -0.555249 0.021 Uiso 1 1 calc R . . . .
C9 C -0.56370(18) -0.55962(17) -0.48266(12) 0.0148(3) Uani 1 1 d . . . . .
C10 C -0.5418(2) -0.5821(2) -0.65350(13) 0.0241(4) Uani 1 1 d . . . . .
H10A H -0.560301 -0.654673 -0.693998 0.029 Uiso 1 1 calc R . . . .
H10B H -0.617411 -0.526922 -0.653617 0.029 Uiso 1 1 calc R . . . .
C11 C -0.4297(2) -0.5079(2) -0.68166(14) 0.0249(4) Uani 1 1 d . . . . .
C12 C -0.3345(2) -0.51750(19) -0.62036(13) 0.0215(4) Uani 1 1 d . . . . .
C13 C -0.7972(2) -0.6070(2) -0.52487(15) 0.0279(5) Uani 1 1 d . . . . .
H13A H -0.874428 -0.639617 -0.500944 0.042 Uiso 1 1 calc GR . . . .
H13B H -0.775399 -0.659750 -0.575037 0.042 Uiso 1 1 calc GR . . . .
H13C H -0.810688 -0.518929 -0.544686 0.042 Uiso 1 1 calc GR . . . .
C14 C -0.39112(19) -0.5070(2) -0.24914(13) 0.0193(4) Uani 1 1 d . . . . .
C15 C -0.3184(2) -0.4075(2) -0.22717(17) 0.0320(5) Uani 1 1 d . . . . .
H15A H -0.255814 -0.413986 -0.179691 0.038 Uiso 1 1 calc R . . . .
H15B H -0.328908 -0.329811 -0.258955 0.038 Uiso 1 1 calc R . . . .
C16 C -0.3763(2) -0.6304(2) -0.20003(14) 0.0274(5) Uani 1 1 d . . . . .
H16A H -0.450352 -0.644902 -0.165945 0.041 Uiso 1 1 calc GR . . . .
H16B H -0.300434 -0.626935 -0.159741 0.041 Uiso 1 1 calc GR . . . .
H16C H -0.368355 -0.700192 -0.242281 0.041 Uiso 1 1 calc GR . . . .
C17 C -0.2140(2) -0.5809(2) -0.40302(14) 0.0249(4) Uani 1 1 d . . . . .
C18 C -0.1914(3) -0.6971(3) -0.37162(16) 0.0344(5) Uani 1 1 d . . . . .
H18A H -0.110923 -0.717341 -0.344304 0.041 Uiso 1 1 calc R . . . .
H18B H -0.255714 -0.759998 -0.376426 0.041 Uiso 1 1 calc R . . . .
C19 C -0.1142(2) -0.4779(3) -0.39671(19) 0.0396(6) Uani 1 1 d . . . . .
H19A H -0.100212 -0.445900 -0.456067 0.059 Uiso 1 1 calc GR . . . .
H19B H -0.035262 -0.513134 -0.369972 0.059 Uiso 1 1 calc GR . . . .
H19C H -0.142424 -0.407930 -0.359996 0.059 Uiso 1 1 calc GR . . . .
C20 C -0.4433(3) -0.4441(3) -0.77060(15) 0.0393(6) Uani 1 1 d . . . . .
H20A H -0.366156 -0.396641 -0.780745 0.059 Uiso 1 1 calc GR . . . .
H20B H -0.515153 -0.385408 -0.772241 0.059 Uiso 1 1 calc GR . . . .
H20C H -0.457583 -0.508780 -0.816810 0.059 Uiso 1 1 calc GR . . . .
C21 C -0.1728(3) -0.3887(3) -0.67932(19) 0.0386(6) Uani 1 1 d . . . . .
H21A H -0.174920 -0.435804 -0.735249 0.058 Uiso 1 1 calc GR . . . .
H21B H -0.086319 -0.360622 -0.663477 0.058 Uiso 1 1 calc GR . . . .
H21C H -0.228311 -0.314354 -0.685909 0.058 Uiso 1 1 calc GR . . . .
C22 C -0.6663(2) -0.3769(2) -0.04928(13) 0.0217(4) Uani 1 1 d . . . . .
C23 C -0.6403(4) -0.2370(3) -0.0688(2) 0.0511(9) Uani 1 1 d . . . . .
H23A H -0.589391 -0.230914 -0.120404 0.077 Uiso 1 1 calc GR . . . .
H23B H -0.594303 -0.198222 -0.017499 0.077 Uiso 1 1 calc GR . . . .
H23C H -0.720363 -0.192134 -0.081098 0.077 Uiso 1 1 calc GR . . . .
C24 C -0.7447(3) -0.3865(3) 0.03156(16) 0.0417(7) Uani 1 1 d . . . . .
H24A H -0.822444 -0.337032 0.021212 0.063 Uiso 1 1 calc GR . . . .
H24B H -0.695978 -0.352787 0.083505 0.063 Uiso 1 1 calc GR . . . .
H24C H -0.765877 -0.475876 0.041841 0.063 Uiso 1 1 calc GR . . . .
C25 C -0.5389(2) -0.4413(3) -0.02760(16) 0.0388(6) Uani 1 1 d . . . . .
H25A H -0.552555 -0.530109 -0.010820 0.058 Uiso 1 1 calc GR . . . .
H25B H -0.493855 -0.396446 0.021565 0.058 Uiso 1 1 calc GR . . . .
H25C H -0.488749 -0.438577 -0.079669 0.058 Uiso 1 1 calc GR . . . .
C26 C -0.88578(19) -0.33587(19) -0.18531(13) 0.0195(4) Uani 1 1 d . . . . .
C27 C -0.8810(2) -0.2616(2) -0.26173(14) 0.0232(4) Uani 1 1 d . . . . .
H27 H -0.813557 -0.273276 -0.299205 0.028 Uiso 1 1 calc R . . . .
C28 C -0.9733(2) -0.1711(2) -0.28383(17) 0.0293(5) Uani 1 1 d . . . . .
H28 H -0.969843 -0.123667 -0.337039 0.035 Uiso 1 1 calc R . . . .
C29 C -1.0701(2) -0.1497(2) -0.22850(18) 0.0315(5) Uani 1 1 d . . . . .
H29 H -1.132334 -0.086957 -0.243315 0.038 Uiso 1 1 calc R . . . .
C30 C -1.0760(2) -0.2199(2) -0.15179(17) 0.0294(5) Uani 1 1 d . . . . .
H30 H -1.141208 -0.204371 -0.113031 0.035 Uiso 1 1 calc R . . . .
C31 C -0.9860(2) -0.3137(2) -0.13147(15) 0.0251(4) Uani 1 1 d . . . . .
H31 H -0.992679 -0.363883 -0.079800 0.030 Uiso 1 1 calc R . . . .
C32 C -0.8195(2) -0.6110(2) -0.13113(13) 0.0199(4) Uani 1 1 d . . . . .
C33 C -0.9433(2) -0.6425(2) -0.16149(14) 0.0243(4) Uani 1 1 d . . . . .
H33 H -0.994245 -0.580097 -0.191935 0.029 Uiso 1 1 calc R . . . .
C34 C -0.9931(2) -0.7630(2) -0.14797(15) 0.0288(5) Uani 1 1 d . . . . .
H34 H -1.076961 -0.782077 -0.169390 0.035 Uiso 1 1 calc R . . . .
C35 C -0.9209(2) -0.8551(2) -0.10347(15) 0.0290(5) Uani 1 1 d . . . . .
H35 H -0.955138 -0.937089 -0.093878 0.035 Uiso 1 1 calc R . . . .
C36 C -0.7986(2) -0.8272(2) -0.07303(16) 0.0292(5) Uani 1 1 d . . . . .
H36 H -0.748733 -0.890190 -0.042408 0.035 Uiso 1 1 calc R . . . .
C37 C -0.7484(2) -0.7072(2) -0.08708(15) 0.0260(4) Uani 1 1 d . . . . .
H37 H -0.663884 -0.689812 -0.066354 0.031 Uiso 1 1 calc R . . . .


_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 1.6376(14) . ?
Si1 C22 1.898(2) . ?
Si1 C26 1.877(2) . ?
Si1 C32 1.883(2) . ?
O1 C3 1.429(2) . ?
O2 H2 0.83(2) . ?
O2 C9 1.433(2) . ?
O3 H3 0.82(2) . ?
O3 C7 1.445(2) . ?
O4 C12 1.369(3) . ?
O4 C21 1.423(3) . ?
C1 H1 1.0000 . ?
C1 C2 1.539(3) . ?
C1 C9 1.533(3) . ?
C1 C13 1.532(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.530(3) . ?
C3 H3A 1.0000 . ?
C3 C4 1.540(3) . ?
C4 H4 1.0000 . ?
C4 C5 1.539(3) . ?
C4 C14 1.519(3) . ?
C5 H5 1.0000 . ?
C5 C6 1.539(3) . ?
C5 C9 1.547(3) . ?
C6 H6 1.0000 . ?
C6 C7 1.571(3) . ?
C6 C17 1.519(3) . ?
C7 C8 1.541(3) . ?
C7 C12 1.505(3) . ?
C8 H8 1.0000 . ?
C8 C9 1.541(3) . ?
C8 C10 1.540(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.508(3) . ?
C11 C12 1.333(3) . ?
C11 C20 1.503(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.330(3) . ?
C14 C16 1.498(3) . ?
C15 H15A 0.9500 . ?
C15 H15B 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.325(4) . ?
C17 C19 1.514(4) . ?
C18 H18A 0.9500 . ?
C18 H18B 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.527(4) . ?
C22 C24 1.527(3) . ?
C22 C25 1.530(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.399(3) . ?
C26 C31 1.401(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.391(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.386(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.381(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.394(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.405(3) . ?
C32 C37 1.404(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.392(3) . ?
C34 H34 0.9500 . ?
C34 C35 1.383(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.381(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.390(3) . ?
C37 H37 0.9500 . ?

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 C22 105.42(8) . . ?
O1 Si1 C26 109.36(9) . . ?
O1 Si1 C32 111.57(9) . . ?
C26 Si1 C22 107.36(9) . . ?
C26 Si1 C32 109.66(9) . . ?
C32 Si1 C22 113.29(9) . . ?
C3 O1 Si1 134.70(13) . . ?
C9 O2 H2 108(2) . . ?
C7 O3 H3 108(3) . . ?
C12 O4 C21 118.7(2) . . ?
C2 C1 H1 107.7 . . ?
C9 C1 H1 107.7 . . ?
C9 C1 C2 109.02(15) . . ?
C13 C1 H1 107.7 . . ?
C13 C1 C2 110.59(17) . . ?
C13 C1 C9 113.95(17) . . ?
C1 C2 H2A 108.8 . . ?
C1 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
C3 C2 C1 113.70(16) . . ?
C3 C2 H2A 108.8 . . ?
C3 C2 H2B 108.8 . . ?
O1 C3 C2 110.77(16) . . ?
O1 C3 H3A 108.9 . . ?
O1 C3 C4 106.19(15) . . ?
C2 C3 H3A 108.9 . . ?
C2 C3 C4 113.22(15) . . ?
C4 C3 H3A 108.9 . . ?
C3 C4 H4 107.4 . . ?
C5 C4 C3 109.33(15) . . ?
C5 C4 H4 107.4 . . ?
C14 C4 C3 111.36(15) . . ?
C14 C4 H4 107.4 . . ?
C14 C4 C5 113.60(15) . . ?
C4 C5 H5 108.4 . . ?
C4 C5 C6 117.06(15) . . ?
C4 C5 C9 111.19(15) . . ?
C6 C5 H5 108.4 . . ?
C6 C5 C9 102.95(14) . . ?
C9 C5 H5 108.4 . . ?
C5 C6 H6 107.3 . . ?
C5 C6 C7 102.26(15) . . ?
C7 C6 H6 107.3 . . ?
C17 C6 C5 117.95(17) . . ?
C17 C6 H6 107.3 . . ?
C17 C6 C7 114.27(16) . . ?
O3 C7 C6 112.88(16) . . ?
O3 C7 C8 109.00(15) . . ?
O3 C7 C12 108.84(15) . . ?
C8 C7 C6 107.30(15) . . ?
C12 C7 C6 114.54(16) . . ?
C12 C7 C8 103.76(17) . . ?
C7 C8 H8 110.0 . . ?
C9 C8 C7 104.60(15) . . ?
C9 C8 H8 110.0 . . ?
C10 C8 C7 105.24(16) . . ?
C10 C8 H8 110.0 . . ?
C10 C8 C9 116.74(17) . . ?
O2 C9 C1 112.14(16) . . ?
O2 C9 C5 110.91(15) . . ?
O2 C9 C8 105.53(15) . . ?
C1 C9 C5 108.94(15) . . ?
C1 C9 C8 116.99(15) . . ?
C8 C9 C5 101.85(15) . . ?
C8 C10 H10A 110.6 . . ?
C8 C10 H10B 110.6 . . ?
H10A C10 H10B 108.7 . . ?
C11 C10 C8 105.79(18) . . ?
C11 C10 H10A 110.6 . . ?
C11 C10 H10B 110.6 . . ?
C12 C11 C10 109.98(18) . . ?
C12 C11 C20 133.2(2) . . ?
C20 C11 C10 116.8(2) . . ?
O4 C12 C7 112.11(18) . . ?
C11 C12 O4 134.40(19) . . ?
C11 C12 C7 113.45(19) . . ?
C1 C13 H13A 109.5 . . ?
C1 C13 H13B 109.5 . . ?
C1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C4 120.73(19) . . ?
C15 C14 C16 121.0(2) . . ?
C16 C14 C4 118.27(18) . . ?
C14 C15 H15A 120.0 . . ?
C14 C15 H15B 120.0 . . ?
H15A C15 H15B 120.0 . . ?
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 . . ?
C18 C17 C6 122.8(2) . . ?
C18 C17 C19 121.7(2) . . ?
C19 C17 C6 115.5(2) . . ?
C17 C18 H18A 120.0 . . ?
C17 C18 H18B 120.0 . . ?
H18A C18 H18B 120.0 . . ?
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 . . ?
C11 C20 H20A 109.5 . . ?
C11 C20 H20B 109.5 . . ?
C11 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O4 C21 H21A 109.5 . . ?
O4 C21 H21B 109.5 . . ?
O4 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 Si1 107.77(16) . . ?
C23 C22 C25 107.3(2) . . ?
C24 C22 Si1 111.14(15) . . ?
C24 C22 C23 109.5(2) . . ?
C24 C22 C25 108.6(2) . . ?
C25 C22 Si1 112.42(15) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 Si1 120.86(16) . . ?
C27 C26 C31 117.2(2) . . ?
C31 C26 Si1 121.58(16) . . ?
C26 C27 H27 119.4 . . ?
C28 C27 C26 121.2(2) . . ?
C28 C27 H27 119.4 . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.2(2) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.8(2) . . ?
C30 C29 H29 120.1 . . ?
C29 C30 H30 120.1 . . ?
C29 C30 C31 119.7(2) . . ?
C31 C30 H30 120.1 . . ?
C26 C31 H31 119.2 . . ?
C30 C31 C26 121.7(2) . . ?
C30 C31 H31 119.2 . . ?
C33 C32 Si1 120.74(17) . . ?
C37 C32 Si1 122.49(16) . . ?
C37 C32 C33 116.8(2) . . ?
C32 C33 H33 119.3 . . ?
C34 C33 C32 121.5(2) . . ?
C34 C33 H33 119.3 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120.2(2) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 120.2 . . ?
C36 C35 C34 119.7(2) . . ?
C36 C35 H35 120.2 . . ?
C35 C36 H36 119.9 . . ?
C35 C36 C37 120.2(2) . . ?
C37 C36 H36 119.9 . . ?
C32 C37 H37 119.2 . . ?
C36 C37 C32 121.7(2) . . ?
C36 C37 H37 119.2 . . ?

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 C3 C2 72.6(2) . . . . ?
Si1 O1 C3 C4 -164.09(14) . . . . ?
Si1 C26 C27 C28 -174.70(17) . . . . ?
Si1 C26 C31 C30 172.33(18) . . . . ?
Si1 C32 C33 C34 179.56(17) . . . . ?
Si1 C32 C37 C36 179.94(18) . . . . ?
O1 Si1 C22 C23 68.3(2) . . . . ?
O1 Si1 C22 C24 -171.73(18) . . . . ?
O1 Si1 C22 C25 -49.8(2) . . . . ?
O1 Si1 C26 C27 -5.56(19) . . . . ?
O1 Si1 C26 C31 -178.98(16) . . . . ?
O1 Si1 C32 C33 -106.52(17) . . . . ?
O1 Si1 C32 C37 72.61(19) . . . . ?
O1 C3 C4 C5 -172.38(15) . . . . ?
O1 C3 C4 C14 61.26(19) . . . . ?
O3 C7 C8 C9 133.70(15) . . . . ?
O3 C7 C8 C10 -102.74(17) . . . . ?
O3 C7 C12 O4 -72.9(2) . . . . ?
O3 C7 C12 C11 105.1(2) . . . . ?
C1 C2 C3 O1 169.79(16) . . . . ?
C1 C2 C3 C4 50.6(2) . . . . ?
C2 C1 C9 O2 -63.63(19) . . . . ?
C2 C1 C9 C5 59.53(19) . . . . ?
C2 C1 C9 C8 174.26(16) . . . . ?
C2 C3 C4 C5 -50.6(2) . . . . ?
C2 C3 C4 C14 -176.98(16) . . . . ?
C3 C4 C5 C6 175.29(16) . . . . ?
C3 C4 C5 C9 57.38(19) . . . . ?
C3 C4 C14 C15 -126.1(2) . . . . ?
C3 C4 C14 C16 53.9(2) . . . . ?
C4 C5 C6 C7 -161.07(15) . . . . ?
C4 C5 C6 C17 72.7(2) . . . . ?
C4 C5 C9 O2 60.7(2) . . . . ?
C4 C5 C9 C1 -63.22(19) . . . . ?
C4 C5 C9 C8 172.57(15) . . . . ?
C5 C4 C14 C15 109.9(2) . . . . ?
C5 C4 C14 C16 -70.1(2) . . . . ?
C5 C6 C7 O3 -103.03(17) . . . . ?
C5 C6 C7 C8 17.07(19) . . . . ?
C5 C6 C7 C12 131.66(18) . . . . ?
C5 C6 C17 C18 49.7(3) . . . . ?
C5 C6 C17 C19 -132.7(2) . . . . ?
C6 C5 C9 O2 -65.48(18) . . . . ?
C6 C5 C9 C1 170.63(15) . . . . ?
C6 C5 C9 C8 46.42(17) . . . . ?
C6 C7 C8 C9 11.15(19) . . . . ?
C6 C7 C8 C10 134.72(16) . . . . ?
C6 C7 C12 O4 54.5(2) . . . . ?
C6 C7 C12 C11 -127.48(19) . . . . ?
C7 C6 C17 C18 -70.5(3) . . . . ?
C7 C6 C17 C19 107.1(2) . . . . ?
C7 C8 C9 O2 80.99(17) . . . . ?
C7 C8 C9 C1 -153.53(16) . . . . ?
C7 C8 C9 C5 -34.91(18) . . . . ?
C7 C8 C10 C11 -11.5(2) . . . . ?
C8 C7 C12 O4 171.12(16) . . . . ?
C8 C7 C12 C11 -10.8(2) . . . . ?
C8 C10 C11 C12 5.3(2) . . . . ?
C8 C10 C11 C20 -176.94(19) . . . . ?
C9 C1 C2 C3 -54.4(2) . . . . ?
C9 C5 C6 C7 -38.79(17) . . . . ?
C9 C5 C6 C17 -165.04(17) . . . . ?
C9 C8 C10 C11 104.0(2) . . . . ?
C10 C8 C9 O2 -34.8(2) . . . . ?
C10 C8 C9 C1 90.7(2) . . . . ?
C10 C8 C9 C5 -150.72(17) . . . . ?
C10 C11 C12 O4 -178.9(2) . . . . ?
C10 C11 C12 C7 3.6(2) . . . . ?
C12 C7 C8 C9 -110.45(16) . . . . ?
C12 C7 C8 C10 13.11(19) . . . . ?
C13 C1 C2 C3 179.61(17) . . . . ?
C13 C1 C9 O2 60.4(2) . . . . ?
C13 C1 C9 C5 -176.41(17) . . . . ?
C13 C1 C9 C8 -61.7(2) . . . . ?
C14 C4 C5 C6 -59.6(2) . . . . ?
C14 C4 C5 C9 -177.55(15) . . . . ?
C17 C6 C7 O3 25.6(2) . . . . ?
C17 C6 C7 C8 145.68(18) . . . . ?
C17 C6 C7 C12 -99.7(2) . . . . ?
C20 C11 C12 O4 3.8(4) . . . . ?
C20 C11 C12 C7 -173.7(2) . . . . ?
C21 O4 C12 C7 177.83(19) . . . . ?
C21 O4 C12 C11 0.4(4) . . . . ?
C22 Si1 O1 C3 140.68(18) . . . . ?
C22 Si1 C26 C27 108.33(18) . . . . ?
C22 Si1 C26 C31 -65.08(19) . . . . ?
C22 Si1 C32 C33 134.70(17) . . . . ?
C22 Si1 C32 C37 -46.2(2) . . . . ?
C26 Si1 O1 C3 -104.18(18) . . . . ?
C26 Si1 C22 C23 -48.2(2) . . . . ?
C26 Si1 C22 C24 71.8(2) . . . . ?
C26 Si1 C22 C25 -166.32(18) . . . . ?
C26 Si1 C32 C33 14.79(19) . . . . ?
C26 Si1 C32 C37 -166.09(17) . . . . ?
C26 C27 C28 C29 2.1(3) . . . . ?
C27 C26 C31 C30 -1.3(3) . . . . ?
C27 C28 C29 C30 -0.9(4) . . . . ?
C28 C29 C30 C31 -1.4(4) . . . . ?
C29 C30 C31 C26 2.5(4) . . . . ?
C31 C26 C27 C28 -1.0(3) . . . . ?
C32 Si1 O1 C3 17.3(2) . . . . ?
C32 Si1 C22 C23 -169.5(2) . . . . ?
C32 Si1 C22 C24 -49.5(2) . . . . ?
C32 Si1 C22 C25 72.5(2) . . . . ?
C32 Si1 C26 C27 -128.19(17) . . . . ?
C32 Si1 C26 C31 58.39(19) . . . . ?
C32 C33 C34 C35 0.3(3) . . . . ?
C33 C32 C37 C36 -0.9(3) . . . . ?
C33 C34 C35 C36 -0.5(3) . . . . ?
C34 C35 C36 C37 0.0(4) . . . . ?
C35 C36 C37 C32 0.7(4) . . . . ?
C37 C32 C33 C34 0.4(3) . . . . ?

_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 1.471
_oxdiff_exptl_absorpt_empirical_full_min 0.569
