# 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. 
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data_20240505_yj01_0m
_database_code_depnum_ccdc_archive 'CCDC 2353295'
loop_
_audit_author_name
_audit_author_address
'Jun Ying'
;Zhejiang Sci Tech University
China
;
_audit_update_record             
;
2024-05-06 deposited with the CCDC.	2024-08-27 downloaded from the CCDC.
;
_audit_creation_date             2024-05-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H28 Cl N O3 S'
_chemical_formula_sum            'C24 H28 Cl N O3 S'
_chemical_formula_weight         445.98
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   4.9709(6)
_cell_length_b                   15.9820(19)
_cell_length_c                   29.501(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.962(7)
_cell_angle_gamma                90
_cell_volume                     2342.3(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5502
_cell_measurement_temperature    296.09
_cell_measurement_theta_max      62.74
_cell_measurement_theta_min      3.15
_shelx_estimated_absorpt_T_max   0.952
_shelx_estimated_absorpt_T_min   0.566
_exptl_absorpt_coefficient_mu    2.471
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.5534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1515 before and 0.0755 after correction.
The Ratio of minimum to maximum transmission is 0.7351.
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    1.265
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2190
_diffrn_reflns_av_unetI/netI     0.0981
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            28569
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        66.849
_diffrn_reflns_theta_max         66.849
_diffrn_reflns_theta_min         3.145
_diffrn_ambient_temperature      296.09
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_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                1924
_reflns_number_total             4058
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.691
_refine_diff_density_min         -0.844
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       0.013(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.422
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     251
_refine_ls_number_reflns         4058
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2387
_refine_ls_R_factor_gt           0.1259
_refine_ls_restrained_S_all      1.422
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3266
_refine_ls_wR_factor_ref         0.4566
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C16(H16A,H16B), C18(H18A,H18B), C22(H22A,H22B), C13(H13A,H13B)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C15(H15), C17(H17), C24(H24), C7(H7), C21(H21), C3(H3), C19(H19),
 C9(H9)
2.c Fitted hexagon refined as free rotating group:
 C15(C2,C17,C24,C14,C7), C21(C3,C20,C19,C9,C5)
2.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C11(H11A,H11B,H11C), C23(H23A,H23B,H23C)
;
_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 0.8649(4) 0.84165(12) 0.35117(7) 0.0786(9) Uani 1 1 d . . . . .
Cl02 Cl 0.1013(5) 0.68312(17) 0.10684(9) 0.1318(13) Uani 1 1 d . . . . .
O1 O 1.0475(10) 0.5143(3) 0.25115(18) 0.0937(17) Uani 1 1 d . . . . .
O3 O 1.0079(10) 0.7640(3) 0.35661(18) 0.0916(17) Uani 1 1 d . . . . .
O2 O 1.0180(10) 0.9165(3) 0.3465(2) 0.0949(18) Uani 1 1 d . . . . .
N1 N 1.1443(13) 0.6167(4) 0.3019(2) 0.0789(18) Uani 1 1 d . . . . .
H1 H 1.130539 0.669230 0.307673 0.095 Uiso 1 1 calc R U . . .
C1 C 0.8093(15) 0.6417(4) 0.2415(3) 0.072(2) Uani 1 1 d . . . . .
C4 C 1.0126(15) 0.5846(5) 0.2659(3) 0.076(2) Uani 1 1 d . . . . .
C6 C 0.6336(15) 0.6021(5) 0.2047(3) 0.081(2) Uani 1 1 d . . . . .
H6A H 0.748124 0.573252 0.183787 0.097 Uiso 1 1 calc R U . . .
H6B H 0.519861 0.560535 0.218380 0.097 Uiso 1 1 calc R U . . .
C8 C 0.7955(13) 0.7217(5) 0.2524(2) 0.071(2) Uani 1 1 d . . . . .
C10 C 0.7921(14) 0.8004(4) 0.2632(3) 0.072(2) Uani 1 1 d . . . . .
C12 C 0.9526(16) 0.8650(4) 0.2372(3) 0.088(2) Uani 1 1 d . . . . .
H12A H 1.075574 0.893315 0.257788 0.132 Uiso 1 1 calc R U . . .
H12B H 0.831505 0.904949 0.223292 0.132 Uiso 1 1 calc R U . . .
H12C H 1.051691 0.837340 0.214197 0.132 Uiso 1 1 calc R U . . .
C16 C 0.4584(16) 0.6622(4) 0.1783(3) 0.085(2) Uani 1 1 d . . . . .
H16A H 0.567290 0.707203 0.166710 0.102 Uiso 1 1 calc R U . . .
H16B H 0.326613 0.686322 0.197990 0.102 Uiso 1 1 calc R U . . .
C18 C 0.6359(15) 0.8305(4) 0.3029(3) 0.077(2) Uani 1 1 d . . . . .
H18A H 0.495781 0.790642 0.309578 0.093 Uiso 1 1 calc R U . . .
H18B H 0.551752 0.883906 0.295701 0.093 Uiso 1 1 calc R U . . .
C22 C 1.3092(16) 0.5646(5) 0.3314(3) 0.088(2) Uani 1 1 d . . . . .
H22A H 1.444800 0.598746 0.346904 0.105 Uiso 1 1 calc R U . . .
H22B H 1.400795 0.523284 0.313412 0.105 Uiso 1 1 calc R U . . .
C13 C 0.3178(18) 0.6174(5) 0.1397(3) 0.101(3) Uani 1 1 d . . . . .
H13A H 0.213494 0.571587 0.151686 0.122 Uiso 1 1 calc R U . . .
H13B H 0.451489 0.593574 0.120289 0.122 Uiso 1 1 calc R U . . .
C15 C 0.3991(12) 0.9381(3) 0.4471(2) 0.098(3) Uani 1 1 d G . . . .
H15 H 0.341911 0.990677 0.456168 0.118 Uiso 1 1 calc R U . . .
C2 C 0.3118(11) 0.8669(5) 0.46935(17) 0.093(3) Uani 1 1 d G . . . .
C17 C 0.3973(13) 0.7883(4) 0.4558(2) 0.109(3) Uani 1 1 d G . . . .
H17 H 0.338894 0.740680 0.470664 0.131 Uiso 1 1 calc R U . . .
C24 C 0.5699(12) 0.7808(3) 0.4199(2) 0.093(2) Uani 1 1 d G . . . .
H24 H 0.627037 0.728175 0.410812 0.112 Uiso 1 1 calc R U . . .
C14 C 0.6571(10) 0.8519(4) 0.39763(16) 0.078(2) Uani 1 1 d G . . . .
C7 C 0.5717(12) 0.9306(3) 0.4112(2) 0.090(3) Uani 1 1 d G . . . .
H7 H 0.630059 0.978172 0.396314 0.108 Uiso 1 1 calc R U . . .
C21 C 0.8885(14) 0.3992(3) 0.3893(3) 0.114(3) Uani 1 1 d G . . . .
H21 H 0.833991 0.344187 0.384417 0.137 Uiso 1 1 calc R U . . .
C3 C 1.0579(13) 0.4378(4) 0.3592(2) 0.104(3) Uani 1 1 d G . . . .
H3 H 1.116684 0.408609 0.334085 0.125 Uiso 1 1 calc R U . . .
C20 C 1.1393(11) 0.5200(4) 0.36646(19) 0.089(2) Uani 1 1 d G . . . .
C19 C 1.0515(13) 0.5637(3) 0.4039(2) 0.103(3) Uani 1 1 d G . . . .
H19 H 1.105965 0.618716 0.408817 0.124 Uiso 1 1 calc R U . . .
C9 C 0.8821(13) 0.5251(4) 0.43408(18) 0.109(3) Uani 1 1 d G . . . .
H9 H 0.823273 0.554297 0.459150 0.131 Uiso 1 1 calc R U . . .
C5 C 0.8006(12) 0.4429(4) 0.4268(2) 0.110(3) Uani 1 1 d G . . . .
C11 C 0.118(2) 0.8727(8) 0.5075(4) 0.138(4) Uani 1 1 d . . . . .
H11A H 0.200463 0.902819 0.532468 0.207 Uiso 1 1 calc R U . . .
H11B H 0.070840 0.817463 0.517260 0.207 Uiso 1 1 calc R U . . .
H11C H -0.042156 0.901668 0.497095 0.207 Uiso 1 1 calc R U . . .
C23 C 0.603(2) 0.4008(7) 0.4588(4) 0.139(4) Uani 1 1 d . . . . .
H23A H 0.645971 0.417269 0.489474 0.208 Uiso 1 1 calc R U . . .
H23B H 0.617756 0.341099 0.456168 0.208 Uiso 1 1 calc R U . . .
H23C H 0.422657 0.417765 0.450642 0.208 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 O3 1.436(5) . ?
S1 O2 1.427(5) . ?
S1 C18 1.802(7) . ?
S1 C14 1.752(5) . ?
Cl02 C13 1.770(9) . ?
O1 C4 1.220(8) . ?
N1 H1 0.8600 . ?
N1 C4 1.332(9) . ?
N1 C22 1.439(9) . ?
C1 C4 1.523(10) . ?
C1 C6 1.509(10) . ?
C1 C8 1.322(9) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C16 1.496(10) . ?
C8 C10 1.298(9) . ?
C10 C12 1.527(10) . ?
C10 C18 1.505(10) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C13 1.498(11) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C20 1.533(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C15 H15 0.9300 . ?
C15 C2 1.3900 . ?
C15 C7 1.3900 . ?
C2 C17 1.3900 . ?
C2 C11 1.511(11) . ?
C17 H17 0.9300 . ?
C17 C24 1.3900 . ?
C24 H24 0.9300 . ?
C24 C14 1.3900 . ?
C14 C7 1.3900 . ?
C7 H7 0.9300 . ?
C21 H21 0.9300 . ?
C21 C3 1.3900 . ?
C21 C5 1.3900 . ?
C3 H3 0.9300 . ?
C3 C20 1.3900 . ?
C20 C19 1.3900 . ?
C19 H19 0.9300 . ?
C19 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C5 1.3900 . ?
C5 C23 1.539(11) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 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
O3 S1 C18 107.5(3) . . ?
O3 S1 C14 107.3(3) . . ?
O2 S1 O3 118.1(3) . . ?
O2 S1 C18 109.3(3) . . ?
O2 S1 C14 109.2(3) . . ?
C14 S1 C18 104.8(3) . . ?
C4 N1 H1 119.5 . . ?
C4 N1 C22 120.9(6) . . ?
C22 N1 H1 119.5 . . ?
C6 C1 C4 116.6(6) . . ?
C8 C1 C4 120.2(7) . . ?
C8 C1 C6 123.2(7) . . ?
O1 C4 N1 124.5(7) . . ?
O1 C4 C1 119.0(8) . . ?
N1 C4 C1 116.5(7) . . ?
C1 C6 H6A 108.6 . . ?
C1 C6 H6B 108.6 . . ?
H6A C6 H6B 107.6 . . ?
C16 C6 C1 114.7(6) . . ?
C16 C6 H6A 108.6 . . ?
C16 C6 H6B 108.6 . . ?
C10 C8 C1 177.7(8) . . ?
C8 C10 C12 121.4(7) . . ?
C8 C10 C18 120.7(7) . . ?
C18 C10 C12 117.8(6) . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C6 C16 H16A 109.7 . . ?
C6 C16 H16B 109.7 . . ?
C6 C16 C13 109.7(6) . . ?
H16A C16 H16B 108.2 . . ?
C13 C16 H16A 109.7 . . ?
C13 C16 H16B 109.7 . . ?
S1 C18 H18A 110.0 . . ?
S1 C18 H18B 110.0 . . ?
C10 C18 S1 108.5(5) . . ?
C10 C18 H18A 110.0 . . ?
C10 C18 H18B 110.0 . . ?
H18A C18 H18B 108.4 . . ?
N1 C22 H22A 109.4 . . ?
N1 C22 H22B 109.4 . . ?
N1 C22 C20 111.2(6) . . ?
H22A C22 H22B 108.0 . . ?
C20 C22 H22A 109.4 . . ?
C20 C22 H22B 109.4 . . ?
Cl02 C13 H13A 109.0 . . ?
Cl02 C13 H13B 109.0 . . ?
C16 C13 Cl02 113.1(6) . . ?
C16 C13 H13A 109.0 . . ?
C16 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
C2 C15 H15 120.0 . . ?
C2 C15 C7 120.0 . . ?
C7 C15 H15 120.0 . . ?
C15 C2 C17 120.0 . . ?
C15 C2 C11 121.3(7) . . ?
C17 C2 C11 118.7(7) . . ?
C2 C17 H17 120.0 . . ?
C24 C17 C2 120.0 . . ?
C24 C17 H17 120.0 . . ?
C17 C24 H24 120.0 . . ?
C17 C24 C14 120.0 . . ?
C14 C24 H24 120.0 . . ?
C24 C14 S1 119.7(4) . . ?
C7 C14 S1 120.3(4) . . ?
C7 C14 C24 120.0 . . ?
C15 C7 H7 120.0 . . ?
C14 C7 C15 120.0 . . ?
C14 C7 H7 120.0 . . ?
C3 C21 H21 120.0 . . ?
C3 C21 C5 120.0 . . ?
C5 C21 H21 120.0 . . ?
C21 C3 H3 120.0 . . ?
C20 C3 C21 120.0 . . ?
C20 C3 H3 120.0 . . ?
C3 C20 C22 119.9(6) . . ?
C3 C20 C19 120.0 . . ?
C19 C20 C22 119.9(6) . . ?
C20 C19 H19 120.0 . . ?
C20 C19 C9 120.0 . . ?
C9 C19 H19 120.0 . . ?
C19 C9 H9 120.0 . . ?
C5 C9 C19 120.0 . . ?
C5 C9 H9 120.0 . . ?
C21 C5 C23 119.5(7) . . ?
C9 C5 C21 120.0 . . ?
C9 C5 C23 120.4(7) . . ?
C2 C11 H11A 109.5 . . ?
C2 C11 H11B 109.5 . . ?
C2 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C5 C23 H23A 109.5 . . ?
C5 C23 H23B 109.5 . . ?
C5 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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 C14 C7 C15 177.7(4) . . . . ?
O3 S1 C18 C10 -52.4(6) . . . . ?
O3 S1 C14 C24 -26.1(4) . . . . ?
O3 S1 C14 C7 156.2(3) . . . . ?
O2 S1 C18 C10 76.9(6) . . . . ?
O2 S1 C14 C24 -155.2(4) . . . . ?
O2 S1 C14 C7 27.1(4) . . . . ?
N1 C22 C20 C3 98.3(6) . . . . ?
N1 C22 C20 C19 -77.3(7) . . . . ?
C1 C6 C16 C13 173.7(7) . . . . ?
C4 N1 C22 C20 -83.4(8) . . . . ?
C4 C1 C6 C16 -173.7(6) . . . . ?
C6 C1 C4 O1 9.1(10) . . . . ?
C6 C1 C4 N1 -172.0(6) . . . . ?
C6 C16 C13 Cl02 179.2(6) . . . . ?
C8 C1 C4 O1 -170.0(7) . . . . ?
C8 C1 C4 N1 8.9(10) . . . . ?
C8 C1 C6 C16 5.4(11) . . . . ?
C8 C10 C18 S1 98.0(7) . . . . ?
C12 C10 C18 S1 -80.1(7) . . . . ?
C18 S1 C14 C24 87.9(4) . . . . ?
C18 S1 C14 C7 -89.8(4) . . . . ?
C22 N1 C4 O1 -10.8(12) . . . . ?
C22 N1 C4 C1 170.4(6) . . . . ?
C22 C20 C19 C9 175.5(5) . . . . ?
C15 C2 C17 C24 0.0 . . . . ?
C2 C15 C7 C14 0.0 . . . . ?
C2 C17 C24 C14 0.0 . . . . ?
C17 C24 C14 S1 -177.7(4) . . . . ?
C17 C24 C14 C7 0.0 . . . . ?
C24 C14 C7 C15 0.0 . . . . ?
C14 S1 C18 C10 -166.3(5) . . . . ?
C7 C15 C2 C17 0.0 . . . . ?
C7 C15 C2 C11 -178.1(7) . . . . ?
C21 C3 C20 C22 -175.5(5) . . . . ?
C21 C3 C20 C19 0.0 . . . . ?
C3 C21 C5 C9 0.0 . . . . ?
C3 C21 C5 C23 177.3(7) . . . . ?
C3 C20 C19 C9 0.0 . . . . ?
C20 C19 C9 C5 0.0 . . . . ?
C19 C9 C5 C21 0.0 . . . . ?
C19 C9 C5 C23 -177.3(7) . . . . ?
C5 C21 C3 C20 0.0 . . . . ?
C11 C2 C17 C24 178.2(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT020_20240505_yj01_0m    
;
PROBLEM: The Value of Rint is Greater Than 0.12 .........      0.219 Report
RESPONSE: The value of Rint is greater than 0.18
RESPONSE: The overall quality of the data was a litte bit of poor due 
to the low quality of the crystal and easy to crack.  According to the 
current  diffraction result, the structure can be undoubedtly determined. 
;
_vrf_PLAT084_20240505_yj01_0m    
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.46 Report
RESPONSE: The value of Rint is greater than 0.18
RESPONSE: The overall quality of the data was a litte bit of poor due 
to the low quality of the crystal and easy to crack.  According to the 
current  diffraction result, the structure can be undoubedtly determined. 
;
_vrf_RINTA01_20240505_yj01_0m    
;
PROBLEM: The value of Rint is greater than 0.18
RESPONSE:The overall quality of the data was a litte bit of poor due 
to the low quality of the crystal and easy to crack.  According to the 
current  diffraction result, the structure can be undoubedtly determined. 
;
