# 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. 
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data_250227cwn_4i
_database_code_depnum_ccdc_archive 'CCDC 2428901'
loop_
_audit_author_name
_audit_author_address
Yang
;ECUST
China
;
_audit_update_record             
;
2025-03-05 deposited with the CCDC.	2025-05-16 downloaded from the CCDC.
;
_audit_creation_date             2025-02-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H28 F2 O4 S'
_chemical_formula_sum            'C32 H28 F2 O4 S'
_chemical_formula_weight         546.60
_chemical_absolute_configuration rmad
_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 0.0137 0.0067 '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'
F F 0.0599 0.0411 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 '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                   9.9024(2)
_cell_length_b                   12.6959(2)
_cell_length_c                   10.5735(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.0660(10)
_cell_angle_gamma                90
_cell_volume                     1319.20(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9974
_cell_measurement_temperature    170.00
_cell_measurement_theta_max      54.916
_cell_measurement_theta_min      3.666
_shelx_estimated_absorpt_T_max   0.952
_shelx_estimated_absorpt_T_min   0.849
_exptl_absorpt_coefficient_mu    0.993
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.6340
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1347 before and 0.0674 after correction.
The Ratio of minimum to maximum transmission is 0.8444.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0418
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            18509
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.896
_diffrn_reflns_theta_min         3.665
_diffrn_ambient_temperature      170.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           3.57
_diffrn_source_power             0.2491146
_diffrn_source_voltage           69.78
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.864
_reflns_Friedel_fraction_full    0.953
_reflns_Friedel_fraction_max     0.943
_reflns_number_gt                4666
_reflns_number_total             4862
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.234
_refine_diff_density_min         -0.174
_refine_diff_density_rms         0.036
_refine_ls_abs_structure_details 
;
 Flack x determined using 2038 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.034(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4862
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0284
_refine_ls_restrained_S_all      1.032
_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)+(0.0372P)²+0.2011P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0724
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C25(H25), C27(H27), C30(H30)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C24(H24A,H24B), C26(H26A,H26B), C28(H28A,H28B), C29(H29A,
 H29B), C31(H31A,H31B), C32(H32A,H32B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C14(H14), C15(H15), C16(H16), C18(H18),
 C19(H19), C20(H20), C21(H21)
;
_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
S1 S 0.82333(5) 0.52404(4) 0.55368(5) 0.02469(14) Uani 1 1 d . . . . .
F1 F 0.68001(18) 0.48773(15) 0.74501(16) 0.0520(5) Uani 1 1 d . . . . .
F2 F 0.68887(17) 0.35677(13) 0.61843(16) 0.0496(5) Uani 1 1 d . . . . .
O1 O 0.98791(18) 0.45445(15) 0.77526(17) 0.0385(5) Uani 1 1 d . . . . .
O2 O 0.60914(18) 0.40184(14) 0.34527(16) 0.0335(4) Uani 1 1 d . . . . .
O3 O 0.82870(17) 0.65296(16) 0.34542(17) 0.0373(5) Uani 1 1 d . . . . .
O4 O 0.60527(15) 0.64707(13) 0.26522(15) 0.0252(4) Uani 1 1 d . . . . .
C1 C 0.6644(2) 0.56633(18) 0.4616(2) 0.0211(5) Uani 1 1 d . . . . .
C2 C 0.7128(2) 0.62726(19) 0.3501(2) 0.0244(5) Uani 1 1 d . . . . .
C3 C 0.5721(2) 0.47263(18) 0.4085(2) 0.0218(5) Uani 1 1 d . . . . .
C4 C 0.4372(2) 0.48991(17) 0.4499(2) 0.0218(5) Uani 1 1 d . . . . .
C5 C 0.3215(2) 0.4271(2) 0.4256(2) 0.0296(5) Uani 1 1 d . . . . .
H5 H 0.322387 0.364713 0.376042 0.036 Uiso 1 1 calc R U . . .
C6 C 0.2055(3) 0.4583(3) 0.4757(3) 0.0406(7) Uani 1 1 d . . . . .
H6 H 0.125289 0.416808 0.460894 0.049 Uiso 1 1 calc R U . . .
C7 C 0.2051(3) 0.5499(3) 0.5477(3) 0.0441(8) Uani 1 1 d . . . . .
H7 H 0.124332 0.569901 0.581656 0.053 Uiso 1 1 calc R U . . .
C8 C 0.3195(3) 0.6124(2) 0.5710(2) 0.0352(6) Uani 1 1 d . . . . .
H8 H 0.317867 0.675280 0.619556 0.042 Uiso 1 1 calc R U . . .
C9 C 0.4372(2) 0.58152(18) 0.5218(2) 0.0237(5) Uani 1 1 d . . . . .
C10 C 0.5723(2) 0.63768(18) 0.5338(2) 0.0238(5) Uani 1 1 d . . . . .
H10A H 0.610318 0.645229 0.624395 0.029 Uiso 1 1 calc R U . . .
H10B H 0.562628 0.708481 0.494498 0.029 Uiso 1 1 calc R U . . .
C11 C 0.7642(2) 0.4386(2) 0.6696(2) 0.0283(5) Uani 1 1 d . . . . .
C12 C 0.8880(2) 0.39962(18) 0.7622(2) 0.0236(5) Uani 1 1 d . . . . .
C13 C 0.8755(2) 0.29955(18) 0.8337(2) 0.0209(4) Uani 1 1 d . . . . .
C14 C 0.8684(2) 0.20568(19) 0.7690(2) 0.0261(5) Uani 1 1 d . . . . .
H14 H 0.859932 0.205361 0.678558 0.031 Uiso 1 1 calc R U . . .
C15 C 0.8737(2) 0.10960(18) 0.8365(2) 0.0284(5) Uani 1 1 d . . . . .
H15 H 0.867782 0.044711 0.791445 0.034 Uiso 1 1 calc R U . . .
C16 C 0.8872(2) 0.10986(17) 0.9665(2) 0.0253(5) Uani 1 1 d . . . . .
H16 H 0.892889 0.044768 1.011173 0.030 Uiso 1 1 calc R U . . .
C17 C 0.8928(2) 0.20551(18) 1.0362(2) 0.0216(4) Uani 1 1 d . . . . .
C18 C 0.9048(2) 0.2061(2) 1.1714(2) 0.0288(5) Uani 1 1 d . . . . .
H18 H 0.914195 0.141381 1.216792 0.035 Uiso 1 1 calc R U . . .
C19 C 0.9028(3) 0.2987(2) 1.2367(2) 0.0319(5) Uani 1 1 d . . . . .
H19 H 0.909959 0.297955 1.327095 0.038 Uiso 1 1 calc R U . . .
C20 C 0.8902(2) 0.3954(2) 1.1707(2) 0.0291(5) Uani 1 1 d . . . . .
H20 H 0.886748 0.459405 1.216797 0.035 Uiso 1 1 calc R U . . .
C21 C 0.8830(2) 0.39749(18) 1.0405(2) 0.0227(5) Uani 1 1 d . . . . .
H21 H 0.876988 0.463226 0.997253 0.027 Uiso 1 1 calc R U . . .
C22 C 0.8844(2) 0.30292(17) 0.9694(2) 0.0192(4) Uani 1 1 d . . . . .
C23 C 0.6149(2) 0.71228(17) 0.1496(2) 0.0200(4) Uani 1 1 d . . . . .
C24 C 0.4699(2) 0.70875(18) 0.0824(2) 0.0227(5) Uani 1 1 d . . . . .
H24A H 0.406482 0.737931 0.138773 0.027 Uiso 1 1 calc R U . . .
H24B H 0.443383 0.634912 0.062079 0.027 Uiso 1 1 calc R U . . .
C25 C 0.4618(2) 0.77361(18) -0.0408(2) 0.0219(5) Uani 1 1 d . . . . .
H25 H 0.366908 0.771637 -0.085861 0.026 Uiso 1 1 calc R U . . .
C26 C 0.5025(3) 0.88802(19) -0.0067(2) 0.0263(5) Uani 1 1 d . . . . .
H26A H 0.497967 0.930822 -0.085411 0.032 Uiso 1 1 calc R U . . .
H26B H 0.438494 0.918486 0.048238 0.032 Uiso 1 1 calc R U . . .
C27 C 0.6473(2) 0.89046(18) 0.0632(2) 0.0258(5) Uani 1 1 d . . . . .
H27 H 0.673696 0.964945 0.084690 0.031 Uiso 1 1 calc R U . . .
C28 C 0.6546(2) 0.82526(17) 0.1864(2) 0.0237(5) Uani 1 1 d . . . . .
H28A H 0.748025 0.827199 0.232096 0.028 Uiso 1 1 calc R U . . .
H28B H 0.591490 0.854458 0.243117 0.028 Uiso 1 1 calc R U . . .
C29 C 0.7134(2) 0.66405(18) 0.0659(2) 0.0224(5) Uani 1 1 d . . . . .
H29A H 0.688060 0.589964 0.045676 0.027 Uiso 1 1 calc R U . . .
H29B H 0.807151 0.665301 0.110888 0.027 Uiso 1 1 calc R U . . .
C30 C 0.7054(2) 0.72970(18) -0.0576(2) 0.0233(5) Uani 1 1 d . . . . .
H30 H 0.769714 0.700005 -0.114280 0.028 Uiso 1 1 calc R U . . .
C31 C 0.7456(2) 0.84388(19) -0.0229(2) 0.0269(5) Uani 1 1 d . . . . .
H31A H 0.839542 0.845715 0.021671 0.032 Uiso 1 1 calc R U . . .
H31B H 0.743170 0.886516 -0.101585 0.032 Uiso 1 1 calc R U . . .
C32 C 0.5607(2) 0.72675(18) -0.1266(2) 0.0242(5) Uani 1 1 d . . . . .
H32A H 0.534662 0.653086 -0.148545 0.029 Uiso 1 1 calc R U . . .
H32B H 0.556178 0.767656 -0.206768 0.029 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
S1 C1 1.826(2) . ?
S1 C11 1.788(2) . ?
F1 C11 1.373(3) . ?
F2 C11 1.353(3) . ?
O1 C12 1.204(3) . ?
O2 C3 1.204(3) . ?
O3 C2 1.200(3) . ?
O4 C2 1.330(3) . ?
O4 C23 1.489(2) . ?
C1 C2 1.535(3) . ?
C1 C3 1.562(3) . ?
C1 C10 1.552(3) . ?
C3 C4 1.473(3) . ?
C4 C5 1.394(3) . ?
C4 C9 1.389(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.381(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.390(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.381(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.390(3) . ?
C9 C10 1.507(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.553(3) . ?
C12 C13 1.491(3) . ?
C13 C14 1.372(3) . ?
C13 C22 1.427(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.411(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.365(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.418(3) . ?
C17 C18 1.420(3) . ?
C17 C22 1.421(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.365(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.410(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.370(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.418(3) . ?
C23 C24 1.522(3) . ?
C23 C28 1.525(3) . ?
C23 C29 1.524(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.535(3) . ?
C25 H25 1.0000 . ?
C25 C26 1.538(3) . ?
C25 C32 1.535(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.530(3) . ?
C27 H27 1.0000 . ?
C27 C28 1.538(3) . ?
C27 C31 1.531(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.544(3) . ?
C30 H30 1.0000 . ?
C30 C31 1.536(3) . ?
C30 C32 1.526(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 S1 C1 102.15(10) . . ?
C2 O4 C23 122.19(17) . . ?
C2 C1 S1 103.15(14) . . ?
C2 C1 C3 109.38(17) . . ?
C2 C1 C10 109.98(18) . . ?
C3 C1 S1 113.29(15) . . ?
C10 C1 S1 115.44(15) . . ?
C10 C1 C3 105.55(17) . . ?
O3 C2 O4 127.7(2) . . ?
O3 C2 C1 124.0(2) . . ?
O4 C2 C1 108.30(18) . . ?
O2 C3 C1 124.3(2) . . ?
O2 C3 C4 128.7(2) . . ?
C4 C3 C1 106.96(18) . . ?
C5 C4 C3 128.0(2) . . ?
C9 C4 C3 110.4(2) . . ?
C9 C4 C5 121.7(2) . . ?
C4 C5 H5 121.0 . . ?
C6 C5 C4 117.9(2) . . ?
C6 C5 H5 121.0 . . ?
C5 C6 H6 119.7 . . ?
C5 C6 C7 120.6(2) . . ?
C7 C6 H6 119.7 . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.4(2) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 120.7 . . ?
C7 C8 C9 118.6(3) . . ?
C9 C8 H8 120.7 . . ?
C4 C9 C8 119.8(2) . . ?
C4 C9 C10 112.5(2) . . ?
C8 C9 C10 127.7(2) . . ?
C1 C10 H10A 110.8 . . ?
C1 C10 H10B 110.8 . . ?
C9 C10 C1 104.59(18) . . ?
C9 C10 H10A 110.8 . . ?
C9 C10 H10B 110.8 . . ?
H10A C10 H10B 108.9 . . ?
F1 C11 S1 113.36(17) . . ?
F1 C11 C12 105.47(19) . . ?
F2 C11 S1 113.77(17) . . ?
F2 C11 F1 103.7(2) . . ?
F2 C11 C12 111.1(2) . . ?
C12 C11 S1 109.06(16) . . ?
O1 C12 C11 117.5(2) . . ?
O1 C12 C13 123.5(2) . . ?
C13 C12 C11 118.9(2) . . ?
C14 C13 C12 119.32(19) . . ?
C14 C13 C22 121.4(2) . . ?
C22 C13 C12 119.0(2) . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.2(2) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0(2) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 119.4 . . ?
C15 C16 C17 121.2(2) . . ?
C17 C16 H16 119.4 . . ?
C16 C17 C18 121.3(2) . . ?
C16 C17 C22 119.4(2) . . ?
C18 C17 C22 119.2(2) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.6(2) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C20 120.4(2) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 119.9 . . ?
C21 C20 C19 120.3(2) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 119.5 . . ?
C20 C21 C22 120.9(2) . . ?
C22 C21 H21 119.5 . . ?
C17 C22 C13 117.8(2) . . ?
C21 C22 C13 123.72(19) . . ?
C21 C22 C17 118.50(19) . . ?
O4 C23 C24 102.45(16) . . ?
O4 C23 C28 110.76(17) . . ?
O4 C23 C29 111.30(17) . . ?
C24 C23 C28 110.23(18) . . ?
C24 C23 C29 110.54(18) . . ?
C29 C23 C28 111.25(18) . . ?
C23 C24 H24A 109.8 . . ?
C23 C24 H24B 109.8 . . ?
C23 C24 C25 109.21(17) . . ?
H24A C24 H24B 108.3 . . ?
C25 C24 H24A 109.8 . . ?
C25 C24 H24B 109.8 . . ?
C24 C25 H25 109.8 . . ?
C24 C25 C26 108.84(19) . . ?
C24 C25 C32 108.84(18) . . ?
C26 C25 H25 109.8 . . ?
C32 C25 H25 109.8 . . ?
C32 C25 C26 109.66(18) . . ?
C25 C26 H26A 109.8 . . ?
C25 C26 H26B 109.8 . . ?
H26A C26 H26B 108.2 . . ?
C27 C26 C25 109.59(18) . . ?
C27 C26 H26A 109.8 . . ?
C27 C26 H26B 109.8 . . ?
C26 C27 H27 109.4 . . ?
C26 C27 C28 110.02(19) . . ?
C26 C27 C31 109.36(19) . . ?
C28 C27 H27 109.4 . . ?
C31 C27 H27 109.4 . . ?
C31 C27 C28 109.18(19) . . ?
C23 C28 C27 107.86(18) . . ?
C23 C28 H28A 110.1 . . ?
C23 C28 H28B 110.1 . . ?
C27 C28 H28A 110.1 . . ?
C27 C28 H28B 110.1 . . ?
H28A C28 H28B 108.4 . . ?
C23 C29 H29A 110.2 . . ?
C23 C29 H29B 110.2 . . ?
C23 C29 C30 107.76(17) . . ?
H29A C29 H29B 108.5 . . ?
C30 C29 H29A 110.2 . . ?
C30 C29 H29B 110.2 . . ?
C29 C30 H30 109.5 . . ?
C31 C30 C29 108.84(19) . . ?
C31 C30 H30 109.5 . . ?
C32 C30 C29 109.78(18) . . ?
C32 C30 H30 109.5 . . ?
C32 C30 C31 109.74(19) . . ?
C27 C31 C30 109.96(18) . . ?
C27 C31 H31A 109.7 . . ?
C27 C31 H31B 109.7 . . ?
C30 C31 H31A 109.7 . . ?
C30 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
C25 C32 H32A 109.7 . . ?
C25 C32 H32B 109.7 . . ?
C30 C32 C25 109.74(18) . . ?
C30 C32 H32A 109.7 . . ?
C30 C32 H32B 109.7 . . ?
H32A C32 H32B 108.2 . . ?

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
S1 C1 C2 O3 -11.5(3) . . . . ?
S1 C1 C2 O4 169.85(16) . . . . ?
S1 C1 C3 O2 -53.8(3) . . . . ?
S1 C1 C3 C4 126.57(16) . . . . ?
S1 C1 C10 C9 -124.51(17) . . . . ?
S1 C11 C12 O1 25.5(3) . . . . ?
S1 C11 C12 C13 -156.86(17) . . . . ?
F1 C11 C12 O1 -96.5(3) . . . . ?
F1 C11 C12 C13 81.1(3) . . . . ?
F2 C11 C12 O1 151.7(2) . . . . ?
F2 C11 C12 C13 -30.6(3) . . . . ?
O1 C12 C13 C14 -112.7(3) . . . . ?
O1 C12 C13 C22 61.4(3) . . . . ?
O2 C3 C4 C5 0.5(4) . . . . ?
O2 C3 C4 C9 -180.0(2) . . . . ?
O4 C23 C24 C25 179.82(18) . . . . ?
O4 C23 C28 C27 -173.91(17) . . . . ?
O4 C23 C29 C30 174.06(18) . . . . ?
C1 S1 C11 F1 -59.7(2) . . . . ?
C1 S1 C11 F2 58.4(2) . . . . ?
C1 S1 C11 C12 -176.91(17) . . . . ?
C1 C3 C4 C5 -180.0(2) . . . . ?
C1 C3 C4 C9 -0.4(2) . . . . ?
C2 O4 C23 C24 178.2(2) . . . . ?
C2 O4 C23 C28 -64.3(3) . . . . ?
C2 O4 C23 C29 60.0(3) . . . . ?
C2 C1 C3 O2 60.6(3) . . . . ?
C2 C1 C3 C4 -118.96(19) . . . . ?
C2 C1 C10 C9 119.32(19) . . . . ?
C3 C1 C2 O3 -132.4(3) . . . . ?
C3 C1 C2 O4 49.0(2) . . . . ?
C3 C1 C10 C9 1.4(2) . . . . ?
C3 C4 C5 C6 179.2(2) . . . . ?
C3 C4 C9 C8 -179.8(2) . . . . ?
C3 C4 C9 C10 1.4(3) . . . . ?
C4 C5 C6 C7 0.2(4) . . . . ?
C4 C9 C10 C1 -1.8(2) . . . . ?
C5 C4 C9 C8 -0.2(3) . . . . ?
C5 C4 C9 C10 -179.0(2) . . . . ?
C5 C6 C7 C8 0.2(4) . . . . ?
C6 C7 C8 C9 -0.7(4) . . . . ?
C7 C8 C9 C4 0.6(4) . . . . ?
C7 C8 C9 C10 179.2(2) . . . . ?
C8 C9 C10 C1 179.5(2) . . . . ?
C9 C4 C5 C6 -0.3(3) . . . . ?
C10 C1 C2 O3 112.2(3) . . . . ?
C10 C1 C2 O4 -66.5(2) . . . . ?
C10 C1 C3 O2 178.9(2) . . . . ?
C10 C1 C3 C4 -0.7(2) . . . . ?
C11 S1 C1 C2 -172.36(15) . . . . ?
C11 S1 C1 C3 -54.21(18) . . . . ?
C11 S1 C1 C10 67.66(18) . . . . ?
C11 C12 C13 C14 69.9(3) . . . . ?
C11 C12 C13 C22 -116.1(2) . . . . ?
C12 C13 C14 C15 172.1(2) . . . . ?
C12 C13 C22 C17 -170.73(19) . . . . ?
C12 C13 C22 C21 10.4(3) . . . . ?
C13 C14 C15 C16 -0.6(4) . . . . ?
C14 C13 C22 C17 3.2(3) . . . . ?
C14 C13 C22 C21 -175.7(2) . . . . ?
C14 C15 C16 C17 1.6(4) . . . . ?
C15 C16 C17 C18 179.0(2) . . . . ?
C15 C16 C17 C22 -0.1(3) . . . . ?
C16 C17 C18 C19 -176.5(2) . . . . ?
C16 C17 C22 C13 -2.3(3) . . . . ?
C16 C17 C22 C21 176.7(2) . . . . ?
C17 C18 C19 C20 -0.6(4) . . . . ?
C18 C17 C22 C13 178.6(2) . . . . ?
C18 C17 C22 C21 -2.4(3) . . . . ?
C18 C19 C20 C21 -1.5(4) . . . . ?
C19 C20 C21 C22 1.7(3) . . . . ?
C20 C21 C22 C13 179.2(2) . . . . ?
C20 C21 C22 C17 0.3(3) . . . . ?
C22 C13 C14 C15 -1.8(3) . . . . ?
C22 C17 C18 C19 2.6(3) . . . . ?
C23 O4 C2 O3 -3.3(4) . . . . ?
C23 O4 C2 C1 175.25(18) . . . . ?
C23 C24 C25 C26 -59.9(2) . . . . ?
C23 C24 C25 C32 59.6(2) . . . . ?
C23 C29 C30 C31 60.0(2) . . . . ?
C23 C29 C30 C32 -60.2(2) . . . . ?
C24 C23 C28 C27 -61.2(2) . . . . ?
C24 C23 C29 C30 60.9(2) . . . . ?
C24 C25 C26 C27 59.2(2) . . . . ?
C24 C25 C32 C30 -59.7(2) . . . . ?
C25 C26 C27 C28 -60.1(2) . . . . ?
C25 C26 C27 C31 59.8(2) . . . . ?
C26 C25 C32 C30 59.3(2) . . . . ?
C26 C27 C28 C23 60.2(2) . . . . ?
C26 C27 C31 C30 -59.7(2) . . . . ?
C28 C23 C24 C25 61.9(2) . . . . ?
C28 C23 C29 C30 -61.9(2) . . . . ?
C28 C27 C31 C30 60.7(2) . . . . ?
C29 C23 C24 C25 -61.5(2) . . . . ?
C29 C23 C28 C27 61.8(2) . . . . ?
C29 C30 C31 C27 -60.7(2) . . . . ?
C29 C30 C32 C25 60.5(2) . . . . ?
C31 C27 C28 C23 -59.8(2) . . . . ?
C31 C30 C32 C25 -59.0(2) . . . . ?
C32 C25 C26 C27 -59.7(2) . . . . ?
C32 C30 C31 C27 59.4(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
