# 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_123
_database_code_depnum_ccdc_archive 'CCDC 2534081'
loop_
_audit_author_name
_audit_author_address
'Lei Wang'
;Yangzhou university
China
;
_audit_update_record             
;
2026-03-01 deposited with the CCDC.	2026-04-17 downloaded from the CCDC.
;
_audit_creation_date             2024-12-31
_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         'C36 H28 F N O2 S'
_chemical_formula_sum            'C36 H28 F N O2 S'
_chemical_formula_weight         557.65
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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                   10.8464(6)
_cell_length_b                   12.0177(6)
_cell_length_c                   12.8579(9)
_cell_angle_alpha                62.168(2)
_cell_angle_beta                 85.094(2)
_cell_angle_gamma                74.649(2)
_cell_volume                     1427.83(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7157
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      2.45
_shelx_estimated_absorpt_T_max   0.974
_shelx_estimated_absorpt_T_min   0.954
_exptl_absorpt_coefficient_mu    0.154
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7004
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0652 before and 0.0460 after correction.
The Ratio of minimum to maximum transmission is 0.9394.
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    1.297
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_unetI/netI     0.0554
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22418
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.529
_diffrn_reflns_theta_min         2.399
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4011
_reflns_number_total             6552
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.168
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         6552
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1058
_refine_ls_R_factor_gt           0.0519
_refine_ls_restrained_S_all      1.015
_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)+(0.0563P)²+0.2651P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1089
_refine_ls_wR_factor_ref         0.1287
_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 Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C34(H34), C35(H35), C4(H4), C3(H3), C32(H32), C31(H31), C21(H21), C20(H20),
 C19(H19), C18(H18), C25(H25), C26(H26), C28(H28), C29(H29), C1(H1), C2(H2),
 C13(H13), C12(H12), C11(H11), C10(H10)
2.c Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C14(H14A,H14B,H14C)
;
_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
S1 S 0.69213(5) 0.59306(5) 0.07873(4) 0.04759(16) Uani 1 1 d . . . . .
O1 O 0.57119(13) 0.64805(13) 0.01733(11) 0.0577(4) Uani 1 1 d . . . . .
F1 F 0.04982(12) 0.78278(15) 0.13006(14) 0.0913(5) Uani 1 1 d . . . . .
O2 O 0.78806(14) 0.66340(14) 0.04095(13) 0.0646(4) Uani 1 1 d . . . . .
N1 N 0.66546(14) 0.56366(14) 0.21880(13) 0.0409(4) Uani 1 1 d . . . . .
C36 C 0.9214(3) 0.0429(3) 0.1620(3) 0.1044(10) Uani 1 1 d . . . . .
H36A H 0.911832 0.033429 0.093188 0.157 Uiso 1 1 calc R U . . .
H36B H 0.878922 -0.013094 0.225767 0.157 Uiso 1 1 calc R U . . .
H36C H 1.010628 0.019674 0.183294 0.157 Uiso 1 1 calc R U . . .
C33 C 0.8626(2) 0.1825(2) 0.1362(2) 0.0650(6) Uani 1 1 d . . . . .
C34 C 0.7310(2) 0.2315(2) 0.1312(2) 0.0622(6) Uani 1 1 d . . . . .
H34 H 0.677812 0.177630 0.143018 0.075 Uiso 1 1 calc R U . . .
C35 C 0.67774(19) 0.3577(2) 0.10928(17) 0.0506(5) Uani 1 1 d . . . . .
H35 H 0.589336 0.389708 0.105498 0.061 Uiso 1 1 calc R U . . .
C30 C 0.75747(18) 0.43694(18) 0.09283(16) 0.0441(5) Uani 1 1 d . . . . .
C23 C 0.55797(17) 0.51364(16) 0.27580(15) 0.0368(4) Uani 1 1 d . . . . .
C16 C 0.59444(16) 0.41773(16) 0.38713(15) 0.0364(4) Uani 1 1 d . . . . .
C15 C 0.51034(17) 0.35517(16) 0.48422(16) 0.0396(4) Uani 1 1 d . . . . .
H15A H 0.424038 0.410898 0.462489 0.047 Uiso 1 1 calc R U . . .
H15B H 0.537771 0.355238 0.554039 0.047 Uiso 1 1 calc R U . . .
C7 C 0.50306(17) 0.21386(16) 0.51975(16) 0.0403(4) Uani 1 1 d . . . . .
C6 C 0.63159(18) 0.11516(17) 0.54254(17) 0.0424(5) Uani 1 1 d . . . . .
C5 C 0.64683(19) 0.02021(18) 0.66076(17) 0.0469(5) Uani 1 1 d . . . . .
C4 C 0.7553(2) -0.0841(2) 0.7000(2) 0.0660(6) Uani 1 1 d . . . . .
H4 H 0.766182 -0.147111 0.778462 0.079 Uiso 1 1 calc R U . . .
C3 C 0.8460(2) -0.0924(3) 0.6207(3) 0.0772(7) Uani 1 1 d . . . . .
H3 H 0.919264 -0.161112 0.646121 0.093 Uiso 1 1 calc R U . . .
C32 C 0.9395(2) 0.2646(2) 0.1153(2) 0.0657(6) Uani 1 1 d . . . . .
H32 H 1.027644 0.233925 0.114853 0.079 Uiso 1 1 calc R U . . .
C31 C 0.88940(19) 0.3902(2) 0.09520(19) 0.0568(5) Uani 1 1 d . . . . .
H31 H 0.942931 0.443696 0.083228 0.068 Uiso 1 1 calc R U . . .
C22 C 0.77081(17) 0.49319(17) 0.30273(17) 0.0417(4) Uani 1 1 d . . . . .
C21 C 0.89402(19) 0.5085(2) 0.2937(2) 0.0556(5) Uani 1 1 d . . . . .
H21 H 0.921317 0.567330 0.223981 0.067 Uiso 1 1 calc R U . . .
C20 C 0.9744(2) 0.4324(2) 0.3929(2) 0.0672(6) Uani 1 1 d . . . . .
H20 H 1.057719 0.440523 0.389862 0.081 Uiso 1 1 calc R U . . .
C19 C 0.9346(2) 0.3446(2) 0.4966(2) 0.0691(7) Uani 1 1 d . . . . .
H19 H 0.991281 0.295139 0.561848 0.083 Uiso 1 1 calc R U . . .
C18 C 0.8121(2) 0.3293(2) 0.50477(18) 0.0553(5) Uani 1 1 d . . . . .
H18 H 0.785557 0.270225 0.574845 0.066 Uiso 1 1 calc R U . . .
C17 C 0.72860(17) 0.40432(17) 0.40545(16) 0.0410(4) Uani 1 1 d . . . . .
C24 C 0.42681(16) 0.58644(16) 0.22517(15) 0.0376(4) Uani 1 1 d . . . . .
C25 C 0.38475(19) 0.71692(18) 0.19866(17) 0.0486(5) Uani 1 1 d . . . . .
H25 H 0.442528 0.759813 0.202927 0.058 Uiso 1 1 calc R U . . .
C26 C 0.2582(2) 0.7835(2) 0.16608(19) 0.0577(6) Uani 1 1 d . . . . .
H26 H 0.229775 0.870600 0.148988 0.069 Uiso 1 1 calc R U . . .
C27 C 0.17570(19) 0.7186(2) 0.15953(19) 0.0578(6) Uani 1 1 d . . . . .
C28 C 0.21385(19) 0.5926(2) 0.17993(18) 0.0553(5) Uani 1 1 d . . . . .
H28 H 0.155946 0.551817 0.172071 0.066 Uiso 1 1 calc R U . . .
C29 C 0.34025(18) 0.52684(19) 0.21250(17) 0.0459(5) Uani 1 1 d . . . . .
H29 H 0.367927 0.440791 0.226228 0.055 Uiso 1 1 calc R U . . .
C1 C 0.7228(2) 0.1043(2) 0.4640(2) 0.0578(6) Uani 1 1 d . . . . .
H1 H 0.712705 0.166342 0.385175 0.069 Uiso 1 1 calc R U . . .
C2 C 0.8300(2) -0.0006(3) 0.5044(3) 0.0741(7) Uani 1 1 d . . . . .
H2 H 0.891857 -0.008885 0.451905 0.089 Uiso 1 1 calc R U . . .
C9 C 0.5341(2) 0.05019(17) 0.72207(17) 0.0464(5) Uani 1 1 d . . . . .
C8 C 0.44808(18) 0.16138(17) 0.64123(17) 0.0435(5) Uani 1 1 d . . . . .
C13 C 0.3332(2) 0.2122(2) 0.6773(2) 0.0593(6) Uani 1 1 d . . . . .
H13 H 0.275859 0.286364 0.623509 0.071 Uiso 1 1 calc R U . . .
C12 C 0.3044(3) 0.1514(3) 0.7947(2) 0.0753(7) Uani 1 1 d . . . . .
H12 H 0.227337 0.185278 0.819788 0.090 Uiso 1 1 calc R U . . .
C11 C 0.3883(3) 0.0418(3) 0.8738(2) 0.0788(8) Uani 1 1 d . . . . .
H11 H 0.367379 0.002109 0.952267 0.095 Uiso 1 1 calc R U . . .
C10 C 0.5037(3) -0.0112(2) 0.83946(19) 0.0656(6) Uani 1 1 d . . . . .
H10 H 0.559794 -0.086280 0.893688 0.079 Uiso 1 1 calc R U . . .
C14 C 0.4224(2) 0.20931(19) 0.43055(18) 0.0555(6) Uani 1 1 d . . . . .
H14A H 0.463844 0.234342 0.356933 0.083 Uiso 1 1 calc R U . . .
H14B H 0.339383 0.268212 0.419202 0.083 Uiso 1 1 calc R U . . .
H14C H 0.413324 0.122517 0.459542 0.083 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 O1 1.4183(14) . ?
S1 O2 1.4245(14) . ?
S1 N1 1.6803(16) . ?
S1 C30 1.748(2) . ?
F1 C27 1.364(2) . ?
N1 C23 1.439(2) . ?
N1 C22 1.426(2) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C36 C33 1.510(3) . ?
C33 C34 1.388(3) . ?
C33 C32 1.375(3) . ?
C34 H34 0.9300 . ?
C34 C35 1.371(3) . ?
C35 H35 0.9300 . ?
C35 C30 1.384(3) . ?
C30 C31 1.389(3) . ?
C23 C16 1.360(2) . ?
C23 C24 1.477(2) . ?
C16 C15 1.499(2) . ?
C16 C17 1.448(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C7 1.562(2) . ?
C7 C6 1.519(3) . ?
C7 C8 1.521(3) . ?
C7 C14 1.530(3) . ?
C6 C5 1.401(3) . ?
C6 C1 1.378(3) . ?
C5 C4 1.393(3) . ?
C5 C9 1.454(3) . ?
C4 H4 0.9300 . ?
C4 C3 1.374(4) . ?
C3 H3 0.9300 . ?
C3 C2 1.373(4) . ?
C32 H32 0.9300 . ?
C32 C31 1.365(3) . ?
C31 H31 0.9300 . ?
C22 C21 1.385(3) . ?
C22 C17 1.390(3) . ?
C21 H21 0.9300 . ?
C21 C20 1.379(3) . ?
C20 H20 0.9300 . ?
C20 C19 1.381(3) . ?
C19 H19 0.9300 . ?
C19 C18 1.378(3) . ?
C18 H18 0.9300 . ?
C18 C17 1.398(3) . ?
C24 C25 1.390(3) . ?
C24 C29 1.383(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.380(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.363(3) . ?
C27 C28 1.360(3) . ?
C28 H28 0.9300 . ?
C28 C29 1.377(3) . ?
C29 H29 0.9300 . ?
C1 H1 0.9300 . ?
C1 C2 1.388(3) . ?
C2 H2 0.9300 . ?
C9 C8 1.395(3) . ?
C9 C10 1.391(3) . ?
C8 C13 1.379(3) . ?
C13 H13 0.9300 . ?
C13 C12 1.385(3) . ?
C12 H12 0.9300 . ?
C12 C11 1.368(4) . ?
C11 H11 0.9300 . ?
C11 C10 1.383(3) . ?
C10 H10 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 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
O1 S1 O2 120.04(9) . . ?
O1 S1 N1 107.09(8) . . ?
O1 S1 C30 110.25(9) . . ?
O2 S1 N1 106.34(8) . . ?
O2 S1 C30 109.02(9) . . ?
N1 S1 C30 102.60(8) . . ?
C23 N1 S1 119.77(12) . . ?
C22 N1 S1 118.13(12) . . ?
C22 N1 C23 106.46(14) . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
C34 C33 C36 121.3(2) . . ?
C32 C33 C36 120.2(2) . . ?
C32 C33 C34 118.5(2) . . ?
C33 C34 H34 119.4 . . ?
C35 C34 C33 121.2(2) . . ?
C35 C34 H34 119.4 . . ?
C34 C35 H35 120.5 . . ?
C34 C35 C30 119.0(2) . . ?
C30 C35 H35 120.5 . . ?
C35 C30 S1 119.63(15) . . ?
C35 C30 C31 120.41(19) . . ?
C31 C30 S1 119.83(15) . . ?
N1 C23 C24 120.22(15) . . ?
C16 C23 N1 109.70(15) . . ?
C16 C23 C24 128.08(16) . . ?
C23 C16 C15 127.78(16) . . ?
C23 C16 C17 107.41(15) . . ?
C17 C16 C15 123.62(15) . . ?
C16 C15 H15A 107.5 . . ?
C16 C15 H15B 107.5 . . ?
C16 C15 C7 119.43(15) . . ?
H15A C15 H15B 107.0 . . ?
C7 C15 H15A 107.5 . . ?
C7 C15 H15B 107.5 . . ?
C6 C7 C15 115.03(14) . . ?
C6 C7 C8 101.26(14) . . ?
C6 C7 C14 109.29(15) . . ?
C8 C7 C15 107.30(14) . . ?
C8 C7 C14 111.19(15) . . ?
C14 C7 C15 112.23(14) . . ?
C5 C6 C7 110.45(17) . . ?
C1 C6 C7 129.27(18) . . ?
C1 C6 C5 120.08(19) . . ?
C6 C5 C9 108.85(17) . . ?
C4 C5 C6 120.2(2) . . ?
C4 C5 C9 130.9(2) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 C5 118.8(2) . . ?
C3 C4 H4 120.6 . . ?
C4 C3 H3 119.5 . . ?
C2 C3 C4 120.9(2) . . ?
C2 C3 H3 119.5 . . ?
C33 C32 H32 119.2 . . ?
C31 C32 C33 121.5(2) . . ?
C31 C32 H32 119.2 . . ?
C30 C31 H31 120.4 . . ?
C32 C31 C30 119.2(2) . . ?
C32 C31 H31 120.4 . . ?
C21 C22 N1 129.39(18) . . ?
C21 C22 C17 122.52(18) . . ?
C17 C22 N1 108.01(15) . . ?
C22 C21 H21 121.5 . . ?
C20 C21 C22 116.9(2) . . ?
C20 C21 H21 121.5 . . ?
C21 C20 H20 119.1 . . ?
C21 C20 C19 121.8(2) . . ?
C19 C20 H20 119.1 . . ?
C20 C19 H19 119.5 . . ?
C18 C19 C20 121.0(2) . . ?
C18 C19 H19 119.5 . . ?
C19 C18 H18 120.7 . . ?
C19 C18 C17 118.6(2) . . ?
C17 C18 H18 120.7 . . ?
C22 C17 C16 108.42(15) . . ?
C22 C17 C18 119.19(17) . . ?
C18 C17 C16 132.19(18) . . ?
C25 C24 C23 119.08(16) . . ?
C29 C24 C23 122.28(16) . . ?
C29 C24 C25 118.40(17) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 C24 120.71(19) . . ?
C26 C25 H25 119.6 . . ?
C25 C26 H26 120.8 . . ?
C27 C26 C25 118.5(2) . . ?
C27 C26 H26 120.8 . . ?
C26 C27 F1 118.9(2) . . ?
C28 C27 F1 118.4(2) . . ?
C28 C27 C26 122.74(19) . . ?
C27 C28 H28 120.8 . . ?
C27 C28 C29 118.4(2) . . ?
C29 C28 H28 120.8 . . ?
C24 C29 H29 119.4 . . ?
C28 C29 C24 121.18(19) . . ?
C28 C29 H29 119.4 . . ?
C6 C1 H1 120.5 . . ?
C6 C1 C2 119.0(2) . . ?
C2 C1 H1 120.5 . . ?
C3 C2 C1 120.9(2) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C8 C9 C5 108.51(17) . . ?
C10 C9 C5 131.4(2) . . ?
C10 C9 C8 120.1(2) . . ?
C9 C8 C7 110.90(17) . . ?
C13 C8 C7 128.74(18) . . ?
C13 C8 C9 120.30(19) . . ?
C8 C13 H13 120.4 . . ?
C8 C13 C12 119.2(2) . . ?
C12 C13 H13 120.4 . . ?
C13 C12 H12 119.8 . . ?
C11 C12 C13 120.5(2) . . ?
C11 C12 H12 119.8 . . ?
C12 C11 H11 119.4 . . ?
C12 C11 C10 121.3(2) . . ?
C10 C11 H11 119.4 . . ?
C9 C10 H10 120.7 . . ?
C11 C10 C9 118.6(2) . . ?
C11 C10 H10 120.7 . . ?
C7 C14 H14A 109.5 . . ?
C7 C14 H14B 109.5 . . ?
C7 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 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
S1 N1 C23 C16 136.76(13) . . . . ?
S1 N1 C23 C24 -58.1(2) . . . . ?
S1 N1 C22 C21 45.4(3) . . . . ?
S1 N1 C22 C17 -137.90(13) . . . . ?
S1 C30 C31 C32 175.01(17) . . . . ?
O1 S1 N1 C23 39.85(15) . . . . ?
O1 S1 N1 C22 172.37(13) . . . . ?
O1 S1 C30 C35 -35.44(18) . . . . ?
O1 S1 C30 C31 148.76(16) . . . . ?
F1 C27 C28 C29 -178.42(18) . . . . ?
O2 S1 N1 C23 169.33(13) . . . . ?
O2 S1 N1 C22 -58.14(15) . . . . ?
O2 S1 C30 C35 -169.20(15) . . . . ?
O2 S1 C30 C31 15.01(19) . . . . ?
N1 S1 C30 C35 78.35(16) . . . . ?
N1 S1 C30 C31 -97.44(17) . . . . ?
N1 C23 C16 C15 168.38(16) . . . . ?
N1 C23 C16 C17 0.66(19) . . . . ?
N1 C23 C24 C25 -52.3(2) . . . . ?
N1 C23 C24 C29 133.41(18) . . . . ?
N1 C22 C21 C20 175.2(2) . . . . ?
N1 C22 C17 C16 0.1(2) . . . . ?
N1 C22 C17 C18 -175.42(17) . . . . ?
C36 C33 C34 C35 179.2(2) . . . . ?
C36 C33 C32 C31 -178.1(2) . . . . ?
C33 C34 C35 C30 -0.5(3) . . . . ?
C33 C32 C31 C30 -1.7(3) . . . . ?
C34 C33 C32 C31 2.9(4) . . . . ?
C34 C35 C30 S1 -173.94(16) . . . . ?
C34 C35 C30 C31 1.8(3) . . . . ?
C35 C30 C31 C32 -0.8(3) . . . . ?
C30 S1 N1 C23 -76.24(14) . . . . ?
C30 S1 N1 C22 56.28(14) . . . . ?
C23 N1 C22 C21 -176.43(19) . . . . ?
C23 N1 C22 C17 0.3(2) . . . . ?
C23 C16 C15 C7 106.4(2) . . . . ?
C23 C16 C17 C22 -0.5(2) . . . . ?
C23 C16 C17 C18 174.3(2) . . . . ?
C23 C24 C25 C26 -171.37(18) . . . . ?
C23 C24 C29 C28 171.23(17) . . . . ?
C16 C23 C24 C25 109.9(2) . . . . ?
C16 C23 C24 C29 -64.4(3) . . . . ?
C16 C15 C7 C6 50.3(2) . . . . ?
C16 C15 C7 C8 162.13(15) . . . . ?
C16 C15 C7 C14 -75.4(2) . . . . ?
C15 C16 C17 C22 -168.85(16) . . . . ?
C15 C16 C17 C18 5.9(3) . . . . ?
C15 C7 C6 C5 115.26(17) . . . . ?
C15 C7 C6 C1 -69.9(2) . . . . ?
C15 C7 C8 C9 -119.90(16) . . . . ?
C15 C7 C8 C13 57.2(2) . . . . ?
C7 C6 C5 C4 176.64(17) . . . . ?
C7 C6 C5 C9 -0.9(2) . . . . ?
C7 C6 C1 C2 -175.31(18) . . . . ?
C7 C8 C13 C12 -176.93(19) . . . . ?
C6 C7 C8 C9 1.02(18) . . . . ?
C6 C7 C8 C13 178.12(19) . . . . ?
C6 C5 C4 C3 -0.4(3) . . . . ?
C6 C5 C9 C8 1.5(2) . . . . ?
C6 C5 C9 C10 -178.2(2) . . . . ?
C6 C1 C2 C3 -0.3(3) . . . . ?
C5 C6 C1 C2 -0.9(3) . . . . ?
C5 C4 C3 C2 -0.7(4) . . . . ?
C5 C9 C8 C7 -1.6(2) . . . . ?
C5 C9 C8 C13 -178.97(17) . . . . ?
C5 C9 C10 C11 178.6(2) . . . . ?
C4 C5 C9 C8 -175.6(2) . . . . ?
C4 C5 C9 C10 4.6(4) . . . . ?
C4 C3 C2 C1 1.1(4) . . . . ?
C32 C33 C34 C35 -1.8(3) . . . . ?
C22 N1 C23 C16 -0.58(19) . . . . ?
C22 N1 C23 C24 164.59(15) . . . . ?
C22 C21 C20 C19 0.2(4) . . . . ?
C21 C22 C17 C16 177.10(17) . . . . ?
C21 C22 C17 C18 1.5(3) . . . . ?
C21 C20 C19 C18 0.2(4) . . . . ?
C20 C19 C18 C17 0.2(4) . . . . ?
C19 C18 C17 C16 -175.4(2) . . . . ?
C19 C18 C17 C22 -1.1(3) . . . . ?
C17 C16 C15 C7 -87.7(2) . . . . ?
C17 C22 C21 C20 -1.1(3) . . . . ?
C24 C23 C16 C15 4.7(3) . . . . ?
C24 C23 C16 C17 -163.03(17) . . . . ?
C24 C25 C26 C27 -0.6(3) . . . . ?
C25 C24 C29 C28 -3.1(3) . . . . ?
C25 C26 C27 F1 178.49(18) . . . . ?
C25 C26 C27 C28 -2.2(3) . . . . ?
C26 C27 C28 C29 2.3(3) . . . . ?
C27 C28 C29 C24 0.4(3) . . . . ?
C29 C24 C25 C26 3.1(3) . . . . ?
C1 C6 C5 C4 1.3(3) . . . . ?
C1 C6 C5 C9 -176.25(17) . . . . ?
C9 C5 C4 C3 176.5(2) . . . . ?
C9 C8 C13 C12 -0.1(3) . . . . ?
C8 C7 C6 C5 -0.06(18) . . . . ?
C8 C7 C6 C1 174.78(19) . . . . ?
C8 C9 C10 C11 -1.1(3) . . . . ?
C8 C13 C12 C11 -0.4(3) . . . . ?
C13 C12 C11 C10 0.1(4) . . . . ?
C12 C11 C10 C9 0.7(4) . . . . ?
C10 C9 C8 C7 178.22(17) . . . . ?
C10 C9 C8 C13 0.8(3) . . . . ?
C14 C7 C6 C5 -117.46(17) . . . . ?
C14 C7 C6 C1 57.4(2) . . . . ?
C14 C7 C8 C9 117.02(17) . . . . ?
C14 C7 C8 C13 -65.9(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
