# Supplementary Information (SI) 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_055-p1
_database_code_depnum_ccdc_archive 'CCDC 2365560'
loop_
_audit_author_name
_audit_author_address
XichenXu
;Wuhan Textile University
China
;
_audit_update_record             
;
2024-06-25 deposited with the CCDC.	2024-09-03 downloaded from the CCDC.
;
_audit_creation_date             2023-06-10
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H37 Cl2 N O4 S Si'
_chemical_formula_sum            'C30 H37 Cl2 N O4 S Si'
_chemical_formula_weight         606.65
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N S Si Cl'
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'
S S 0.3331 0.5567 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6650(6)
_cell_length_b                   11.8161(8)
_cell_length_c                   14.0653(9)
_cell_angle_alpha                70.874(6)
_cell_angle_beta                 66.157(6)
_cell_angle_gamma                67.903(6)
_cell_volume                     1607.3(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6127
_cell_measurement_temperature    120.0(2)
_cell_measurement_theta_max      69.8740
_cell_measurement_theta_min      4.1290
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.052
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76133
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13065
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        66.600
_diffrn_reflns_theta_max         66.600
_diffrn_reflns_theta_min         3.512
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -12.00  15.00   0.50    0.50    --    0.00   0.00-120.00   54
  2  ω    -38.00 -13.00   0.50    0.50    --    0.00  57.00 -60.00   50
  3  ω     35.00  89.00   0.50    0.50    --    0.00  57.00 -60.00  108
  4  ω     34.00  65.00   0.50    0.50    --    0.00   0.00-120.00   62
  5  ω    -88.00 -62.00   0.50    0.50    --    0.00   0.00-120.00   52
  6  ω     88.00 142.00   0.50    0.50    --   53.20  82.00  60.00  108
  7  ω     80.00 143.00   0.50    0.50    --   53.20  77.00 150.00  126
  8  ω    -13.00 103.00   0.50    0.50    --   53.20 -82.00-150.00  232
  9  ω    -12.00 104.00   0.50    0.50    --   53.20 -82.00  60.00  232
 10  ω     67.00 100.00   0.50    0.50    --   53.20  45.00 -30.00   66
 11  ω     67.00  93.00   0.50    0.50    --   53.20 -82.00  90.00   52
 12  ω     18.00  43.00   0.50    0.50    --   53.20 -82.00 -90.00   50
 13  ω    -30.00  97.00   0.50    0.50    --   53.20 -45.00  60.00  254
 14  ω    104.00 139.00   0.50    0.50    --   53.20  82.00 120.00   70
 15  ω     90.00 140.00   0.50    0.50    --   53.20  82.00   0.00  100
 16  ω     38.00  64.00   0.50    0.50    --   53.20  61.00  30.00   52
 17  ω      6.00  58.00   0.50    0.50    --   53.20  45.00 -30.00  104
 18  ω     68.00 103.00   0.50    0.50    --   53.20 -82.00 -90.00   70
 19  ω     18.00  48.00   0.50    0.50    --  106.50  21.00  60.00   60
 20  ω    110.00 136.00   0.50    0.50    --  106.50 -43.00-150.00   52
 21  ω     88.00 123.00   0.50    0.50    --  106.50  82.00 -90.00   70
 22  ω     28.00  93.00   0.50    0.50    --  106.50 -43.00-150.00  130
 23  ω     19.00  92.00   0.50    0.50    --  106.50 -82.00-150.00  146
 24  ω     30.00  99.00   0.50    0.50    --  106.50 -82.00  30.00  138
 25  ω     18.00 159.00   0.50    0.50    --  106.50 -43.00  30.00  282
 26  ω     18.00 156.00   0.50    0.50    --  106.50 -82.00-120.00  276
 27  ω     50.00 103.00   0.50    0.50    --  106.50 -82.00  90.00  106
 28  ω    111.00 136.00   0.50    0.50    --  106.50 -82.00  90.00   50
 29  ω     68.00  97.00   0.50    0.50    --  106.50 -82.00   0.00   58
 30  ω     54.00  79.00   0.50    0.50    --  106.50  21.00  60.00   50
 31  ω     19.00  83.00   0.50    0.50    --  106.50 -82.00 -60.00  128
 32  ω     91.00 195.00   0.50    0.50    --  106.50  11.00 120.00  208
 33  ω     21.00  70.00   0.50    0.50    --  106.50  11.00 120.00   98
 34  ω    159.00 187.00   0.50    0.50    --  106.50  43.00-150.00   56
 35  ω    131.00 156.00   0.50    0.50    --  106.50 -82.00 150.00   50
 36  ω     58.00 100.00   0.50    0.50    --  106.50 -82.00 150.00   84
 37  ω     70.00 141.00   0.50    0.50    --  106.50 -82.00 -30.00  142
 38  ω     34.00  59.00   0.50    0.50    --  106.50 -82.00 -30.00   50
 39  ω    119.00 149.00   0.50    0.50    --  106.50 -82.00 120.00   60
 40  ω    132.00 184.00   0.50    0.50    --  106.50  21.00  60.00  104
 41  ω     69.00  97.00   0.50    0.50    --  106.50 -82.00 -90.00   56
 42  ω    121.00 146.00   0.50    0.50    --  106.50 -82.00 -90.00   50
 43  ω     85.00 110.00   0.50    0.50    --  106.50  21.00  60.00   50
 44  ω     31.00  98.00   0.50    0.50    --  106.50 -82.00 120.00  134
 45  ω    133.00 158.00   0.50    0.50    --  106.50  82.00 -90.00   50
 46  ω     57.00 156.00   0.50    0.50    --  106.50  43.00-150.00  198
 47  ω    -21.00 -10.50   0.50    0.50    --    0.00 -82.00 -30.00   21
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1308697000
_diffrn_orient_matrix_UB_12      -0.0020787000
_diffrn_orient_matrix_UB_13      -0.0007910000
_diffrn_orient_matrix_UB_21      0.0252135000
_diffrn_orient_matrix_UB_22      0.0794560000
_diffrn_orient_matrix_UB_23      -0.1138284000
_diffrn_orient_matrix_UB_31      0.0699122000
_diffrn_orient_matrix_UB_32      -0.1198791000
_diffrn_orient_matrix_UB_33      -0.0450040000
_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                4780
_reflns_number_total             5521
_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 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.679
_refine_diff_density_min         -0.439
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5521
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0529
_refine_ls_restrained_S_all      1.080
_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)+(0.1143P)²+0.0648P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1524
_refine_ls_wR_factor_ref         0.1573
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C19(H19)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C6(H6), C7(H7), C9(H9), C10(H10), C21(H21), C22(H22), C24(H24),
 C25(H25)
2.c Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C27(H27A,H27B,H27C), C29(H29A,
 H29B,H29C), C30(H30A,H30B,H30C)
;
_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
Cl1 Cl 0.84401(6) 0.51475(6) 1.10946(5) 0.04691(19) Uani 1 1 d . . . . .
Cl2 Cl 0.92175(8) 0.47865(7) 0.32506(6) 0.0629(2) Uani 1 1 d . . . . .
S1 S 0.50975(5) 1.01792(5) 0.72164(4) 0.03563(18) Uani 1 1 d . . . . .
Si1 Si 0.26942(6) 1.00216(6) 0.93590(5) 0.03651(19) Uani 1 1 d . . . . .
O1 O 0.68837(16) 1.09992(15) 0.55254(13) 0.0426(4) Uani 1 1 d . . . . .
O2 O 0.82343(14) 1.00211(14) 0.41610(11) 0.0345(4) Uani 1 1 d . . . . .
O3 O 0.47022(14) 0.59079(15) 0.75538(14) 0.0415(4) Uani 1 1 d . . . . .
O4 O 0.67507(14) 0.46273(14) 0.70545(12) 0.0342(4) Uani 1 1 d . . . . .
N1 N 0.56773(16) 0.78355(17) 0.73150(14) 0.0311(4) Uani 1 1 d . . . . .
C1 C 0.4150(2) 0.9304(2) 0.83020(18) 0.0360(5) Uani 1 1 d . . . . .
C2 C 0.4602(2) 0.8115(2) 0.82164(17) 0.0337(5) Uani 1 1 d . . . . .
H2 H 0.421973 0.749247 0.873399 0.040 Uiso 1 1 calc R U . . .
C3 C 0.60606(19) 0.8870(2) 0.66370(16) 0.0301(4) Uani 1 1 d . . . . .
C4 C 0.7006(2) 0.8910(2) 0.56516(16) 0.0309(5) Uani 1 1 d . . . . .
C5 C 0.7558(2) 0.7888(2) 0.50575(15) 0.0296(4) Uani 1 1 d . . . . .
C6 C 0.8886(2) 0.7294(2) 0.47378(17) 0.0335(5) Uani 1 1 d . . . . .
H6 H 0.945520 0.753858 0.491023 0.040 Uiso 1 1 calc R U . . .
C7 C 0.9406(2) 0.6350(2) 0.41710(18) 0.0377(5) Uani 1 1 d . . . . .
H7 H 1.031922 0.595458 0.395213 0.045 Uiso 1 1 calc R U . . .
C8 C 0.8567(2) 0.6000(2) 0.39333(17) 0.0391(5) Uani 1 1 d . . . . .
C9 C 0.7243(2) 0.6577(2) 0.42243(18) 0.0402(5) Uani 1 1 d . . . . .
H9 H 0.668255 0.633110 0.404372 0.048 Uiso 1 1 calc R U . . .
C10 C 0.6738(2) 0.7526(2) 0.47859(17) 0.0348(5) Uani 1 1 d . . . . .
H10 H 0.582666 0.793140 0.498713 0.042 Uiso 1 1 calc R U . . .
C11 C 0.7345(2) 1.0080(2) 0.51334(17) 0.0324(5) Uani 1 1 d . . . . .
C12 C 0.9544(3) 1.0635(3) 0.2444(2) 0.0513(7) Uani 1 1 d . . . . .
H12A H 1.027322 0.992349 0.258660 0.077 Uiso 1 1 calc R U . . .
H12B H 0.988499 1.130234 0.189917 0.077 Uiso 1 1 calc R U . . .
H12C H 0.903290 1.037171 0.219231 0.077 Uiso 1 1 calc R U . . .
C13 C 0.8674(2) 1.1115(2) 0.34610(17) 0.0349(5) Uani 1 1 d . . . . .
C14 C 0.7533(3) 1.2206(3) 0.3271(2) 0.0548(7) Uani 1 1 d . . . . .
H14A H 0.697901 1.192992 0.307587 0.082 Uiso 1 1 calc R U . . .
H14B H 0.785703 1.286040 0.269289 0.082 Uiso 1 1 calc R U . . .
H14C H 0.702248 1.253739 0.391977 0.082 Uiso 1 1 calc R U . . .
C15 C 0.9481(3) 1.1414(3) 0.3910(2) 0.0490(6) Uani 1 1 d . . . . .
H15A H 0.892522 1.168116 0.458283 0.074 Uiso 1 1 calc R U . . .
H15B H 0.984839 1.208663 0.340447 0.074 Uiso 1 1 calc R U . . .
H15C H 1.019160 1.066907 0.403468 0.074 Uiso 1 1 calc R U . . .
C16 C 0.1746(2) 1.1511(2) 0.8699(2) 0.0496(6) Uani 1 1 d . . . . .
H16A H 0.228302 1.209266 0.833734 0.074 Uiso 1 1 calc R U . . .
H16B H 0.095466 1.188020 0.923474 0.074 Uiso 1 1 calc R U . . .
H16C H 0.150353 1.134239 0.817933 0.074 Uiso 1 1 calc R U . . .
C17 C 0.3225(2) 1.0344(3) 1.0307(2) 0.0488(6) Uani 1 1 d . . . . .
H17A H 0.382112 0.958017 1.057880 0.073 Uiso 1 1 calc R U . . .
H17B H 0.245891 1.062420 1.090021 0.073 Uiso 1 1 calc R U . . .
H17C H 0.367474 1.099641 0.993964 0.073 Uiso 1 1 calc R U . . .
C18 C 0.1741(2) 0.8859(2) 1.00753(19) 0.0435(6) Uani 1 1 d . . . . .
H18A H 0.149923 0.866152 0.956965 0.065 Uiso 1 1 calc R U . . .
H18B H 0.094877 0.920780 1.062085 0.065 Uiso 1 1 calc R U . . .
H18C H 0.227468 0.809606 1.041192 0.065 Uiso 1 1 calc R U . . .
C19 C 0.6547(2) 0.6539(2) 0.73462(16) 0.0303(4) Uani 1 1 d . . . . .
H19 H 0.732688 0.654505 0.669058 0.036 Uiso 1 1 calc R U . . .
C20 C 0.70255(19) 0.6127(2) 0.83014(16) 0.0304(4) Uani 1 1 d . . . . .
C21 C 0.6773(2) 0.5130(2) 0.91211(18) 0.0415(5) Uani 1 1 d . . . . .
H21 H 0.628587 0.465668 0.909892 0.050 Uiso 1 1 calc R U . . .
C22 C 0.7222(3) 0.4805(3) 0.99842(19) 0.0455(6) Uani 1 1 d . . . . .
H22 H 0.704796 0.411445 1.054462 0.055 Uiso 1 1 calc R U . . .
C23 C 0.7918(2) 0.5503(2) 1.00068(17) 0.0363(5) Uani 1 1 d . . . . .
C24 C 0.8178(2) 0.6504(2) 0.9200(2) 0.0417(5) Uani 1 1 d . . . . .
H24 H 0.865905 0.698073 0.922619 0.050 Uiso 1 1 calc R U . . .
C25 C 0.7733(2) 0.6807(2) 0.83503(19) 0.0397(5) Uani 1 1 d . . . . .
H25 H 0.791565 0.749533 0.778978 0.048 Uiso 1 1 calc R U . . .
C26 C 0.5863(2) 0.5669(2) 0.73297(16) 0.0319(5) Uani 1 1 d . . . . .
C27 C 0.7626(2) 0.2590(3) 0.6752(3) 0.0579(8) Uani 1 1 d . . . . .
H27A H 0.821719 0.290259 0.606761 0.087 Uiso 1 1 calc R U . . .
H27B H 0.747497 0.184790 0.671129 0.087 Uiso 1 1 calc R U . . .
H27C H 0.802022 0.237088 0.730886 0.087 Uiso 1 1 calc R U . . .
C28 C 0.6349(2) 0.3583(2) 0.70097(18) 0.0357(5) Uani 1 1 d . . . . .
C29 C 0.5736(3) 0.4018(3) 0.6139(2) 0.0540(7) Uani 1 1 d . . . . .
H29A H 0.489435 0.464535 0.634416 0.081 Uiso 1 1 calc R U . . .
H29B H 0.560031 0.330479 0.603257 0.081 Uiso 1 1 calc R U . . .
H29C H 0.631738 0.438514 0.547782 0.081 Uiso 1 1 calc R U . . .
C30 C 0.5435(3) 0.3136(3) 0.8083(2) 0.0518(6) Uani 1 1 d . . . . .
H30A H 0.582490 0.296135 0.863475 0.078 Uiso 1 1 calc R U . . .
H30B H 0.529057 0.237331 0.807813 0.078 Uiso 1 1 calc R U . . .
H30C H 0.459833 0.378435 0.823205 0.078 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
Cl1 C23 1.740(2) . ?
Cl2 C8 1.746(2) . ?
S1 C1 1.756(2) . ?
S1 C3 1.760(2) . ?
Si1 C1 1.874(2) . ?
Si1 C16 1.864(3) . ?
Si1 C17 1.867(3) . ?
Si1 C18 1.864(2) . ?
O1 C11 1.219(3) . ?
O2 C11 1.346(3) . ?
O2 C13 1.470(2) . ?
O3 C26 1.199(3) . ?
O4 C26 1.329(3) . ?
O4 C28 1.502(3) . ?
N1 C2 1.402(3) . ?
N1 C3 1.381(3) . ?
N1 C19 1.483(3) . ?
C1 C2 1.331(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.378(3) . ?
C4 C5 1.488(3) . ?
C4 C11 1.455(3) . ?
C5 C6 1.386(3) . ?
C5 C10 1.398(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.390(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.379(3) . ?
C8 C9 1.377(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.391(3) . ?
C10 H10 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C12 C13 1.524(3) . ?
C13 C14 1.509(3) . ?
C13 C15 1.512(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19 1.0000 . ?
C19 C20 1.525(3) . ?
C19 C26 1.530(3) . ?
C20 C21 1.378(3) . ?
C20 C25 1.383(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.397(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.372(3) . ?
C23 C24 1.375(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.381(3) . ?
C25 H25 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C27 C28 1.502(3) . ?
C28 C29 1.514(3) . ?
C28 C30 1.515(3) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?

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
C1 S1 C3 92.25(10) . . ?
C16 Si1 C1 108.08(11) . . ?
C16 Si1 C17 109.74(13) . . ?
C17 Si1 C1 110.42(11) . . ?
C18 Si1 C1 106.54(11) . . ?
C18 Si1 C16 112.37(12) . . ?
C18 Si1 C17 109.64(12) . . ?
C11 O2 C13 121.23(17) . . ?
C26 O4 C28 120.83(16) . . ?
C2 N1 C19 118.97(17) . . ?
C3 N1 C2 113.46(18) . . ?
C3 N1 C19 123.77(16) . . ?
S1 C1 Si1 122.89(13) . . ?
C2 C1 S1 109.56(16) . . ?
C2 C1 Si1 127.50(17) . . ?
N1 C2 H2 122.1 . . ?
C1 C2 N1 115.88(19) . . ?
C1 C2 H2 122.1 . . ?
N1 C3 S1 108.68(14) . . ?
C4 C3 S1 124.39(17) . . ?
C4 C3 N1 126.9(2) . . ?
C3 C4 C5 123.22(18) . . ?
C3 C4 C11 116.88(19) . . ?
C11 C4 C5 119.47(18) . . ?
C6 C5 C4 121.47(18) . . ?
C6 C5 C10 118.4(2) . . ?
C10 C5 C4 120.1(2) . . ?
C5 C6 H6 119.2 . . ?
C5 C6 C7 121.6(2) . . ?
C7 C6 H6 119.2 . . ?
C6 C7 H7 120.7 . . ?
C8 C7 C6 118.5(2) . . ?
C8 C7 H7 120.7 . . ?
C7 C8 Cl2 118.42(19) . . ?
C9 C8 Cl2 119.86(18) . . ?
C9 C8 C7 121.7(2) . . ?
C8 C9 H9 120.4 . . ?
C8 C9 C10 119.1(2) . . ?
C10 C9 H9 120.4 . . ?
C5 C10 H10 119.7 . . ?
C9 C10 C5 120.7(2) . . ?
C9 C10 H10 119.7 . . ?
O1 C11 O2 124.15(19) . . ?
O1 C11 C4 124.54(19) . . ?
O2 C11 C4 111.31(18) . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
O2 C13 C12 101.77(18) . . ?
O2 C13 C14 110.97(18) . . ?
O2 C13 C15 109.83(19) . . ?
C14 C13 C12 110.8(2) . . ?
C14 C13 C15 113.0(2) . . ?
C15 C13 C12 109.9(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si1 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.5 . . ?
Si1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N1 C19 H19 107.7 . . ?
N1 C19 C20 109.19(17) . . ?
N1 C19 C26 110.74(17) . . ?
C20 C19 H19 107.7 . . ?
C20 C19 C26 113.55(17) . . ?
C26 C19 H19 107.7 . . ?
C21 C20 C19 123.60(19) . . ?
C21 C20 C25 118.6(2) . . ?
C25 C20 C19 117.83(19) . . ?
C20 C21 H21 119.4 . . ?
C20 C21 C22 121.1(2) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 120.6 . . ?
C23 C22 C21 118.7(2) . . ?
C23 C22 H22 120.6 . . ?
C22 C23 Cl1 119.52(19) . . ?
C22 C23 C24 121.2(2) . . ?
C24 C23 Cl1 119.23(17) . . ?
C23 C24 H24 120.4 . . ?
C23 C24 C25 119.3(2) . . ?
C25 C24 H24 120.4 . . ?
C20 C25 H25 119.4 . . ?
C24 C25 C20 121.1(2) . . ?
C24 C25 H25 119.4 . . ?
O3 C26 O4 126.7(2) . . ?
O3 C26 C19 124.0(2) . . ?
O4 C26 C19 109.30(17) . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
O4 C28 C27 102.51(17) . . ?
O4 C28 C29 109.37(19) . . ?
O4 C28 C30 110.20(19) . . ?
C27 C28 C29 111.8(2) . . ?
C27 C28 C30 110.4(2) . . ?
C29 C28 C30 112.2(2) . . ?
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 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 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
Cl1 C23 C24 C25 -178.24(19) . . . . ?
Cl2 C8 C9 C10 178.74(16) . . . . ?
S1 C1 C2 N1 -0.6(3) . . . . ?
S1 C3 C4 C5 -163.38(16) . . . . ?
S1 C3 C4 C11 9.0(3) . . . . ?
Si1 C1 C2 N1 177.03(16) . . . . ?
N1 C3 C4 C5 14.4(3) . . . . ?
N1 C3 C4 C11 -173.2(2) . . . . ?
N1 C19 C20 C21 118.8(2) . . . . ?
N1 C19 C20 C25 -60.1(2) . . . . ?
N1 C19 C26 O3 -18.9(3) . . . . ?
N1 C19 C26 O4 162.34(16) . . . . ?
C1 S1 C3 N1 -3.66(16) . . . . ?
C1 S1 C3 C4 174.48(19) . . . . ?
C2 N1 C3 S1 4.0(2) . . . . ?
C2 N1 C3 C4 -174.1(2) . . . . ?
C2 N1 C19 C20 -54.4(2) . . . . ?
C2 N1 C19 C26 71.4(2) . . . . ?
C3 S1 C1 Si1 -175.30(15) . . . . ?
C3 S1 C1 C2 2.45(18) . . . . ?
C3 N1 C2 C1 -2.3(3) . . . . ?
C3 N1 C19 C20 102.2(2) . . . . ?
C3 N1 C19 C26 -132.0(2) . . . . ?
C3 C4 C5 C6 -122.5(2) . . . . ?
C3 C4 C5 C10 59.1(3) . . . . ?
C3 C4 C11 O1 2.5(3) . . . . ?
C3 C4 C11 O2 -177.34(18) . . . . ?
C4 C5 C6 C7 -179.16(19) . . . . ?
C4 C5 C10 C9 179.54(19) . . . . ?
C5 C4 C11 O1 175.2(2) . . . . ?
C5 C4 C11 O2 -4.6(3) . . . . ?
C5 C6 C7 C8 -0.4(3) . . . . ?
C6 C5 C10 C9 1.1(3) . . . . ?
C6 C7 C8 Cl2 -178.39(17) . . . . ?
C6 C7 C8 C9 1.3(3) . . . . ?
C7 C8 C9 C10 -1.0(4) . . . . ?
C8 C9 C10 C5 -0.3(3) . . . . ?
C10 C5 C6 C7 -0.7(3) . . . . ?
C11 O2 C13 C12 -174.6(2) . . . . ?
C11 O2 C13 C14 -56.6(3) . . . . ?
C11 O2 C13 C15 69.0(3) . . . . ?
C11 C4 C5 C6 65.3(3) . . . . ?
C11 C4 C5 C10 -113.1(2) . . . . ?
C13 O2 C11 O1 -3.3(3) . . . . ?
C13 O2 C11 C4 176.59(18) . . . . ?
C16 Si1 C1 S1 42.07(18) . . . . ?
C16 Si1 C1 C2 -135.3(2) . . . . ?
C17 Si1 C1 S1 -77.97(18) . . . . ?
C17 Si1 C1 C2 104.7(2) . . . . ?
C18 Si1 C1 S1 163.04(14) . . . . ?
C18 Si1 C1 C2 -14.3(3) . . . . ?
C19 N1 C2 C1 156.6(2) . . . . ?
C19 N1 C3 S1 -153.72(16) . . . . ?
C19 N1 C3 C4 28.2(3) . . . . ?
C19 C20 C21 C22 -179.1(2) . . . . ?
C19 C20 C25 C24 178.8(2) . . . . ?
C20 C19 C26 O3 104.3(2) . . . . ?
C20 C19 C26 O4 -74.4(2) . . . . ?
C20 C21 C22 C23 0.3(4) . . . . ?
C21 C20 C25 C24 -0.1(4) . . . . ?
C21 C22 C23 Cl1 177.9(2) . . . . ?
C21 C22 C23 C24 -0.2(4) . . . . ?
C22 C23 C24 C25 -0.2(4) . . . . ?
C23 C24 C25 C20 0.3(4) . . . . ?
C25 C20 C21 C22 -0.2(4) . . . . ?
C26 O4 C28 C27 -176.0(2) . . . . ?
C26 O4 C28 C29 65.3(3) . . . . ?
C26 O4 C28 C30 -58.4(3) . . . . ?
C26 C19 C20 C21 -5.3(3) . . . . ?
C26 C19 C20 C25 175.80(19) . . . . ?
C28 O4 C26 O3 -0.8(3) . . . . ?
C28 O4 C26 C19 177.92(17) . . . . ?

_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 3.324
_oxdiff_exptl_absorpt_empirical_full_min 0.480
