# Supplementary Information (SI) for Chemical Science.
# 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. 
# 
#######################################################################

data_inkpen1418
_database_code_depnum_ccdc_archive 'CCDC 2480811'
loop_
_audit_author_name
_audit_author_address
'Sandugash Yergeshbayeva'
;University of Southern California
United States of America
;
_audit_update_record             
;
2025-08-15 deposited with the CCDC.	2026-06-11 downloaded from the CCDC.
;
_audit_creation_date             2025-08-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.03.04 svn.red2d20d0 for OlexSys, GUI svn.r7181)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        Tetrakis(4-(methylthio)phenyl)silane
_chemical_formula_moiety         'C28 H28 S4 Si'
_chemical_formula_sum            'C28 H28 S4 Si'
_chemical_formula_weight         520.83
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         SiS4C28H28
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'
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      tetragonal
_space_group_IT_number           82
_space_group_name_H-M_alt        'I -4'
_space_group_name_Hall           'I -4'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'

_cell_length_a                   13.3502(2)
_cell_length_b                   13.3502(2)
_cell_length_c                   7.3339(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1307.11(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5066
_cell_measurement_temperature    100.0(3)
_cell_measurement_theta_max      78.9720
_cell_measurement_theta_min      4.6530
_shelx_estimated_absorpt_T_max   0.800
_shelx_estimated_absorpt_T_min   0.320
_exptl_absorpt_coefficient_mu    3.884
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.413
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.137a (Rigaku Oxford Diffraction, 2024)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
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    1.323
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             548
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 -1 0 0.0531
-1 0 -2 0.1648
1 0 2 0.2053
-2 1 -2 0.1577
0 0 1 0.2025
1 -1 1 0.1815
-1 1 -1 0.1509
-1 1 -2 0.1644
1 -1 0 0.0557
2 -2 1 0.1436
1 -2 1 0.1531
1 -2 0 0.0550
-1 2 0 0.0632
1 -2 -1 0.1376
0 2 -1 0.1297
0 -1 0 0.0475
0 1 0 0.0534
1 2 -1 0.1194
-1 2 2 0.1795
1 1 -1 0.1402
-1 -1 1 0.1501
0 2 1 0.1460
-1 -2 0 0.0422
2 2 -1 0.1022
-2 -2 1 0.1149
-1 -2 -2 0.1447
1 2 2 0.1777
-2 -1 0 0.0241
2 1 0 0.0362
-1 0 0 0.0369
1 0 0 0.0495
1 1 0 0.0240

_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2.0002 -0.9993 0.0001 0.0695 0.2338 0.0836
-1.0035 0.0010 -1.9987 -0.0750 -0.2229 0.3670
1.0035 -0.0010 1.9987 0.0750 0.2229 -0.3670
-2.0036 1.0002 -1.9987 -0.0671 -0.3762 0.3119
0.0017 -0.0004 0.9993 -0.0012 0.0712 -0.1978
1.0017 -0.9996 0.9993 -0.0091 0.2244 -0.1426
-1.0017 0.9996 -0.9993 0.0091 -0.2244 0.1426
-1.0035 1.0000 -1.9986 0.0104 -0.2956 0.3404
1.0000 -0.9992 0.0000 -0.0079 0.1533 0.0551
2.0018 -1.9988 0.9993 -0.0171 0.3777 -0.0875
1.0017 -1.9987 0.9993 -0.0945 0.2971 -0.1160
0.9999 -1.9982 -0.0000 -0.0933 0.2259 0.0818
-0.9999 1.9982 0.0000 0.0933 -0.2259 -0.0818
0.9982 -1.9978 -0.9993 -0.0920 0.1547 0.2795
-0.0015 1.9985 -0.9992 0.1719 -0.2165 0.1445
-0.0001 -0.9990 -0.0000 -0.0854 0.0727 0.0266
0.0001 0.9990 0.0000 0.0854 -0.0727 -0.0266
0.9986 1.9984 -0.9992 0.2494 -0.1359 0.1729
-0.9965 1.9974 1.9986 0.0908 -0.0836 -0.4773
0.9985 0.9993 -0.9992 0.1640 -0.0633 0.1996
-0.9985 -0.9993 0.9992 -0.1640 0.0633 -0.1996
0.0019 1.9977 0.9994 0.1695 -0.0742 -0.2510
-1.0003 -1.9979 -0.0001 -0.2481 0.0648 0.0248
1.9987 1.9982 -0.9991 0.3268 -0.0554 0.2014
-1.9987 -1.9982 0.9991 -0.3268 0.0554 -0.2014
-1.0037 -1.9971 -1.9987 -0.2457 -0.0776 0.4203
1.0037 1.9971 1.9987 0.2457 0.0776 -0.4203
-2.0003 -0.9988 -0.0002 -0.2402 -0.0885 -0.0303
2.0003 0.9988 0.0002 0.2402 0.0885 0.0303
-1.0001 0.0001 -0.0001 -0.0774 -0.0806 -0.0285
1.0001 -0.0001 0.0001 0.0774 0.0806 0.0285
1.0002 0.9989 0.0001 0.1628 0.0079 0.0018

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0464
_diffrn_reflns_av_unetI/netI     0.0281
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6728
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.633
_diffrn_reflns_theta_min         4.684
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(3)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -81.00 -22.00   0.50    0.26    --  -96.00 108.00   8.00  118
  2  ω    -82.00   0.00   0.50    0.26    --  -44.64 108.00   8.00  164
  3  ω   -122.00 -24.00   0.50    0.26    --  -44.64 -26.00   9.00  196
  4  ω    -65.00 -32.00   0.50    0.26    --  -44.64 -54.00-110.69   66
  5  ω   -101.00 -75.00   0.50    0.26    --  -96.00 -56.00 -77.61   52
  6  ω   -101.00 -75.00   0.50    0.26    --  -96.00 -56.00-108.78   52
  7  ω   -100.00 -75.00   0.50    0.26    --  -96.00 -48.00-100.98   50
  8  ω   -100.00 -75.00   0.50    0.26    --  -96.00 -48.00-110.04   50
  9  ω   -105.00 -75.00   0.50    0.26    --  -96.00 -55.00-144.42   60
 10  ω   -104.00 -77.00   0.50    0.26    --  -96.00 -52.00-125.45   54
 11  ω   -174.00 -75.00   0.50    0.26    --  -96.00 -26.00   9.00  198
 12  ω   -170.00 -82.00   0.50    0.26    --  -96.00-108.00 -88.00  176
 13  ω   -169.00 -83.00   0.50    0.26    --  -96.00-107.00 176.00  172
 14  ω     66.00  97.00   0.50    0.26    --  117.50 -77.00-180.00   62
 15  ω     46.00  72.00   0.50    0.26    --  117.50 -61.00-120.00   52
 16  ω    105.00 178.00   0.50    0.26    --  117.50 107.00 -84.00  146
 17  ω     45.00  71.00   0.50    0.26    --  117.50 -61.00   0.00   52
 18  ω     45.00  72.00   0.50    0.26    --  117.50 -61.00  90.00   54
 19  ω     46.00  72.00   0.50    0.26    --  117.50 -61.00 150.00   52
 20  ω     50.00 104.00   0.50    0.26    --  117.50 -95.00 120.00  108
 21  ω     44.00 103.00   0.50    0.26    --  117.50-107.00 176.00  118
 22  ω     20.00  87.00   0.50    0.26    --   44.64-107.00 176.00  134
 23  ω     44.00 107.00   0.50    0.26    --  117.50-108.00 -88.00  126
 24  ω     66.00  92.00   0.50    0.26    --  117.50 -95.00-180.00   52
 25  ω    119.00 166.00   0.50    0.26    --  117.50   0.00 -60.00   94
 26  ω    139.00 176.00   0.50    0.26    --  117.50  77.00 -60.00   74
 27  ω    146.00 177.00   0.50    0.26    --  117.50  77.00 -90.00   62
 28  ω    103.00 129.00   0.50    0.26    --  117.50  61.00-120.00   52
 29  ω    103.00 131.00   0.50    0.26    --  117.50  77.00-120.00   56
 30  ω    103.00 137.00   0.50    0.26    --  117.50  77.00 -90.00   68
 31  ω    102.00 135.00   0.50    0.26    --  117.50  77.00 -60.00   66
 32  ω    102.00 130.00   0.50    0.26    --  117.50  77.00 -30.00   56
 33  ω    102.00 128.00   0.50    0.26    --  117.50  61.00 -60.00   52
 34  ω     97.00 132.00   0.50    0.26    --  117.50  61.00 -90.00   70
 35  ω     99.00 125.00   0.50    0.26    --  117.50  30.00 -90.00   52
 36  ω     28.00  68.00   0.50    0.26    --   44.64  52.00-122.68   80
 37  ω     54.00  80.00   0.50    0.26    --  117.50   0.00 -60.00   52
 38  ω     97.00 178.00   0.50    0.26    --  117.50  26.00 172.00  162
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0774422000
_diffrn_orient_matrix_UB_12      0.0854300000
_diffrn_orient_matrix_UB_13      -0.0013293000
_diffrn_orient_matrix_UB_21      0.0805565000
_diffrn_orient_matrix_UB_22      -0.0727494000
_diffrn_orient_matrix_UB_23      0.0710546000
_diffrn_orient_matrix_UB_31      0.0284778000
_diffrn_orient_matrix_UB_32      -0.0266621000
_diffrn_orient_matrix_UB_33      -0.1979518000
_diffrn_oxdiff_digest_hkl        
;
43dd2c12abdf119653dfca6425047222e8bcd5
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.819
_reflns_Friedel_fraction_full    0.983
_reflns_Friedel_fraction_max     0.970
_reflns_number_gt                1279
_reflns_number_total             1310
_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 1.171.43.137a (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 44.114a 64-bit (release 13-06-2025))'
_computing_data_reduction        'CrysAlisPro 1.171.43.137a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.269
_refine_diff_density_min         -0.144
_refine_diff_density_rms         0.042
_refine_ls_abs_structure_details 
;
 Flack x determined using 564 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.004(16)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     76
_refine_ls_number_reflns         1310
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0262
_refine_ls_restrained_S_all      1.054
_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)+(0.0437P)²+0.3823P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0684
_refine_ls_wR_factor_ref         0.0692
_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 Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C)
;
_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 0.14268(4) 0.42879(5) 0.57992(9) 0.0242(2) Uani 1 1 d . . . . .
Si1 Si 0.5000 0.5000 0.0000 0.0191(3) Uani 1 4 d S T P . .
C1 C 0.39071(17) 0.47393(17) 0.1533(3) 0.0203(5) Uani 1 1 d . . . . .
C2 C 0.29687(18) 0.52037(18) 0.1401(3) 0.0226(5) Uani 1 1 d . . . . .
H2 H 0.2840 0.5643 0.0410 0.027 Uiso 1 1 calc R U . . .
C3 C 0.22191(18) 0.50373(19) 0.2690(3) 0.0239(5) Uani 1 1 d . . . . .
H3 H 0.1588 0.5359 0.2564 0.029 Uiso 1 1 calc R U . . .
C4 C 0.23926(17) 0.43989(16) 0.4168(4) 0.0203(5) Uani 1 1 d . . . . .
C5 C 0.33139(18) 0.39025(17) 0.4297(4) 0.0209(5) Uani 1 1 d . . . . .
H5 H 0.3436 0.3448 0.5268 0.025 Uiso 1 1 calc R U . . .
C6 C 0.40473(18) 0.40803(18) 0.2992(3) 0.0224(5) Uani 1 1 d . . . . .
H6 H 0.4670 0.3740 0.3096 0.027 Uiso 1 1 calc R U . . .
C7 C 0.1987(2) 0.3535(2) 0.7550(4) 0.0331(6) Uani 1 1 d . . . . .
H7A H 0.2137 0.2868 0.7062 0.050 Uiso 1 1 calc R U . . .
H7B H 0.1521 0.3473 0.8577 0.050 Uiso 1 1 calc R U . . .
H7C H 0.2608 0.3852 0.7966 0.050 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 C4 1.765(3) . ?
S1 C7 1.794(3) . ?
Si1 C1 1.875(2) . ?
Si1 C1 1.875(2) 4_655 ?
Si1 C1 1.875(2) 2_665 ?
Si1 C1 1.875(2) 3_565 ?
C1 C2 1.401(3) . ?
C1 C6 1.398(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.394(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.398(4) . ?
C4 C5 1.400(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.389(4) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 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
C4 S1 C7 103.17(12) . . ?
C1 Si1 C1 111.08(8) . 4_655 ?
C1 Si1 C1 106.29(15) . 2_665 ?
C1 Si1 C1 106.29(15) 4_655 3_565 ?
C1 Si1 C1 111.08(8) 2_665 4_655 ?
C1 Si1 C1 111.08(8) . 3_565 ?
C1 Si1 C1 111.08(8) 2_665 3_565 ?
C2 C1 Si1 124.92(19) . . ?
C6 C1 Si1 118.15(18) . . ?
C6 C1 C2 116.8(2) . . ?
C1 C2 H2 119.2 . . ?
C3 C2 C1 121.6(2) . . ?
C3 C2 H2 119.2 . . ?
C2 C3 H3 119.9 . . ?
C2 C3 C4 120.2(2) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 S1 117.10(18) . . ?
C3 C4 C5 119.1(2) . . ?
C5 C4 S1 123.8(2) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 C4 119.4(2) . . ?
C6 C5 H5 120.3 . . ?
C1 C6 H6 118.6 . . ?
C5 C6 C1 122.7(2) . . ?
C5 C6 H6 118.6 . . ?
S1 C7 H7A 109.5 . . ?
S1 C7 H7B 109.5 . . ?
S1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 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 C4 C5 C6 -176.56(18) . . . . ?
Si1 C1 C2 C3 -174.18(19) . . . . ?
Si1 C1 C6 C5 174.35(19) . . . . ?
C1 Si1 C1 C2 -110.1(3) 4_655 . . . ?
C1 Si1 C1 C2 128.9(2) 2_665 . . . ?
C1 Si1 C1 C2 8.0(2) 3_565 . . . ?
C1 Si1 C1 C6 -46.85(16) 2_665 . . . ?
C1 Si1 C1 C6 -167.80(19) 3_565 . . . ?
C1 Si1 C1 C6 74.11(14) 4_655 . . . ?
C1 C2 C3 C4 0.4(4) . . . . ?
C2 C1 C6 C5 -1.8(4) . . . . ?
C2 C3 C4 S1 176.52(19) . . . . ?
C2 C3 C4 C5 -2.3(4) . . . . ?
C3 C4 C5 C6 2.2(4) . . . . ?
C4 C5 C6 C1 -0.1(4) . . . . ?
C6 C1 C2 C3 1.6(4) . . . . ?
C7 S1 C4 C3 -173.8(2) . . . . ?
C7 S1 C4 C5 5.0(2) . . . . ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.837
_oxdiff_exptl_absorpt_empirical_full_min 0.730
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane/Hexane'
