# 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. 
# 
#######################################################################

data_wc101_1021_auto
_database_code_depnum_ccdc_archive 'CCDC 2392657'
loop_
_audit_author_name
_audit_author_address
'Frank Allen'
;lanzhou Data Centre
China
;
_audit_update_record             
;
2024-10-22 deposited with the CCDC.	2025-09-17 downloaded from the CCDC.
;
_audit_creation_date             2024-10-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H24 N2 O2 S'
_chemical_formula_sum            'C15 H24 N2 O2 S'
_chemical_formula_weight         296.42
_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'
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                   7.8198(2)
_cell_length_b                   25.8453(4)
_cell_length_c                   8.26570(10)
_cell_angle_alpha                90
_cell_angle_beta                 101.258(2)
_cell_angle_gamma                90
_cell_volume                     1638.40(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7788
_cell_measurement_temperature    149.98(10)
_cell_measurement_theta_max      76.6960
_cell_measurement_theta_min      5.1340
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.779
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75724
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.932
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9787
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.932
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.916
_diffrn_reflns_theta_min         3.420
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.98(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -26.00  23.00   0.50    0.05    --   44.63 -19.00   0.00   98
  2  ω     -2.00  23.00   0.50    0.05    --   44.63 -78.00  -4.00   50
  3  ω     40.00  71.00   0.50    0.05    --  111.16 -78.00  -4.00   62
  4  ω     42.00  67.00   0.50    0.05    --  111.16 -61.00 -60.00   50
  5  ω     73.00  99.00   0.50    0.05    --  111.16 -77.00-150.00   52
  6  ω    -30.00  10.00   0.50    0.05    --   44.63 -19.00-180.00   80
  7  ω     42.00  67.00   0.50    0.05    --  111.16 -61.00   0.00   50
  8  ω     43.00  68.00   0.50    0.05    --  111.16 -61.00 120.00   50
  9  ω     92.00 139.00   0.50    0.05    --  111.16  45.00 -60.00   94
 10  ω     93.00 171.00   0.50    0.05    --  111.16  77.00  30.00  156
 11  ω    105.00 130.00   0.50    0.05    --  111.16  78.00 120.00   50
 12  ω     43.00  68.00   0.50    0.05    --   44.63  78.00 120.00   50
 13  ω    -57.00  10.00   0.50    0.05    --  -44.63  78.00 120.00  134
 14  ω   -112.00 -27.00   0.50    0.05    -- -100.00  78.00 120.00  170
 15  ω    -53.00 -27.00   0.50    0.05    -- -100.00  45.00  90.00   52
 16  ω    -54.00 -26.00   0.50    0.05    -- -100.00  45.00  60.00   56
 17  ω    -54.00 -29.00   0.50    0.05    -- -100.00  45.00 -60.00   50
 18  ω    -53.00 -28.00   0.50    0.05    -- -100.00  45.00 -90.00   50
 19  ω   -177.00 -83.00   0.50    0.05    -- -100.00 -30.00  60.00  188
 20  ω   -154.00 -78.00   0.50    0.05    -- -100.00 -78.00  -4.00  152
 21  ω   -171.00 -83.00   0.50    0.05    -- -100.00-125.00  60.00  176
 22  ω   -116.00 -18.00   0.50    0.05    --  -44.63 -78.00  -4.00  196
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0521216000
_diffrn_orient_matrix_UB_12      0.0265538000
_diffrn_orient_matrix_UB_13      -0.1694683000
_diffrn_orient_matrix_UB_21      0.1356296000
_diffrn_orient_matrix_UB_22      0.0428257000
_diffrn_orient_matrix_UB_23      0.0564959000
_diffrn_orient_matrix_UB_31      0.1385572000
_diffrn_orient_matrix_UB_32      -0.0318169000
_diffrn_orient_matrix_UB_33      -0.0652363000
_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                3041
_reflns_number_total             3224
_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 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_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         0.332
_refine_diff_density_min         -0.656
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         3224
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0513
_refine_ls_restrained_S_all      1.065
_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)+(0.0962P)²+0.4713P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1429
_refine_ls_wR_factor_ref         0.1444
_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:
 C6(H6), C10(H10)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C13(H13), C14(H14)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C),
 C12(H12A,H12B,H12C), C15(H15A,H15B,H15C)
;
_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 0.53276(5) 0.63443(2) 0.57291(4) 0.02812(17) Uani 1 1 d . . . . .
O1 O 0.37770(17) 0.61436(6) 0.62060(16) 0.0393(3) Uani 1 1 d . . . . .
O2 O 0.60426(19) 0.68108(5) 0.65684(15) 0.0388(3) Uani 1 1 d . . . . .
N1 N 0.38804(18) 0.67423(5) 0.12730(16) 0.0277(3) Uani 1 1 d . . . . .
N2 N 0.51256(19) 0.63981(6) 0.37561(17) 0.0304(3) Uani 1 1 d . . . . .
C1 C 0.3960(2) 0.67137(6) 0.28989(19) 0.0289(4) Uani 1 1 d . . . . .
C2 C 0.6487(3) 0.53627(7) 0.6497(3) 0.0419(4) Uani 1 1 d . . . . .
H2 H 0.529687 0.527287 0.642906 0.050 Uiso 1 1 calc R U . . .
C3 C 0.9953(3) 0.56176(9) 0.6684(3) 0.0505(5) Uani 1 1 d . . . . .
H3 H 1.114036 0.570684 0.673303 0.061 Uiso 1 1 calc R U . . .
C4 C 0.6942(2) 0.58614(6) 0.61618(19) 0.0290(4) Uani 1 1 d . . . . .
C5 C 0.9526(3) 0.51180(9) 0.7058(3) 0.0478(5) Uani 1 1 d . . . . .
C6 C 0.4985(2) 0.64157(7) 0.0402(2) 0.0283(4) Uani 1 1 d . . . . .
H6 H 0.463915 0.650708 -0.079266 0.034 Uiso 1 1 calc R U . . .
C7 C 1.0950(4) 0.47246(12) 0.7620(4) 0.0758(9) Uani 1 1 d . . . . .
H7A H 1.191178 0.478419 0.703921 0.114 Uiso 1 1 calc R U . . .
H7B H 1.048333 0.437536 0.737349 0.114 Uiso 1 1 calc R U . . .
H7C H 1.137777 0.475940 0.881062 0.114 Uiso 1 1 calc R U . . .
C8 C 0.6923(2) 0.65415(7) 0.0887(2) 0.0341(4) Uani 1 1 d . . . . .
H8A H 0.709156 0.691596 0.081785 0.051 Uiso 1 1 calc R U . . .
H8B H 0.755615 0.636470 0.013451 0.051 Uiso 1 1 calc R U . . .
H8C H 0.736654 0.642452 0.201849 0.051 Uiso 1 1 calc R U . . .
C9 C 0.3651(3) 0.74882(8) -0.0630(2) 0.0446(5) Uani 1 1 d . . . . .
H9A H 0.450737 0.766713 0.020751 0.067 Uiso 1 1 calc R U . . .
H9B H 0.283458 0.774107 -0.123549 0.067 Uiso 1 1 calc R U . . .
H9C H 0.425432 0.730824 -0.139940 0.067 Uiso 1 1 calc R U . . .
C10 C 0.2654(2) 0.70977(7) 0.0203(2) 0.0349(4) Uani 1 1 d . . . . .
H10 H 0.199864 0.729411 0.092898 0.042 Uiso 1 1 calc R U . . .
C11 C 0.1331(3) 0.67942(10) -0.1031(3) 0.0506(5) Uani 1 1 d . . . . .
H11A H 0.192913 0.661539 -0.180659 0.076 Uiso 1 1 calc R U . . .
H11B H 0.046059 0.703220 -0.163807 0.076 Uiso 1 1 calc R U . . .
H11C H 0.075225 0.653958 -0.044283 0.076 Uiso 1 1 calc R U . . .
C12 C 0.4609(3) 0.58407(7) 0.0514(2) 0.0368(4) Uani 1 1 d . . . . .
H12A H 0.505300 0.571955 0.164164 0.055 Uiso 1 1 calc R U . . .
H12B H 0.518490 0.564994 -0.025394 0.055 Uiso 1 1 calc R U . . .
H12C H 0.334828 0.578218 0.022756 0.055 Uiso 1 1 calc R U . . .
C13 C 0.7783(3) 0.49937(8) 0.6934(3) 0.0526(6) Uani 1 1 d . . . . .
H13 H 0.746903 0.464930 0.715306 0.063 Uiso 1 1 calc R U . . .
C14 C 0.8676(2) 0.59877(8) 0.6242(3) 0.0420(4) Uani 1 1 d . . . . .
H14 H 0.898740 0.632963 0.599134 0.050 Uiso 1 1 calc R U . . .
C15 C 0.2715(3) 0.70406(8) 0.3651(2) 0.0417(5) Uani 1 1 d . . . . .
H15A H 0.286356 0.740564 0.338917 0.063 Uiso 1 1 calc R U . . .
H15B H 0.296001 0.699415 0.485095 0.063 Uiso 1 1 calc R U . . .
H15C H 0.151357 0.693389 0.320110 0.063 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 1.4427(13) . ?
S1 O2 1.4479(13) . ?
S1 N2 1.6134(14) . ?
S1 C4 1.7616(17) . ?
N1 C1 1.335(2) . ?
N1 C6 1.490(2) . ?
N1 C10 1.488(2) . ?
N2 C1 1.321(2) . ?
C1 C15 1.512(2) . ?
C2 H2 0.9500 . ?
C2 C4 1.380(2) . ?
C2 C13 1.387(3) . ?
C3 H3 0.9500 . ?
C3 C5 1.383(3) . ?
C3 C14 1.380(3) . ?
C4 C14 1.384(3) . ?
C5 C7 1.512(3) . ?
C5 C13 1.385(3) . ?
C6 H6 1.0000 . ?
C6 C8 1.525(2) . ?
C6 C12 1.521(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 C10 1.520(3) . ?
C10 H10 1.0000 . ?
C10 C11 1.521(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 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
O1 S1 O2 115.78(8) . . ?
O1 S1 N2 112.68(8) . . ?
O1 S1 C4 107.29(8) . . ?
O2 S1 N2 111.41(8) . . ?
O2 S1 C4 107.36(8) . . ?
N2 S1 C4 101.02(7) . . ?
C1 N1 C6 122.50(13) . . ?
C1 N1 C10 122.03(14) . . ?
C10 N1 C6 115.46(13) . . ?
C1 N2 S1 121.09(12) . . ?
N1 C1 C15 118.41(15) . . ?
N2 C1 N1 117.76(14) . . ?
N2 C1 C15 123.83(15) . . ?
C4 C2 H2 120.3 . . ?
C4 C2 C13 119.37(18) . . ?
C13 C2 H2 120.3 . . ?
C5 C3 H3 119.6 . . ?
C14 C3 H3 119.6 . . ?
C14 C3 C5 120.84(19) . . ?
C2 C4 S1 119.99(14) . . ?
C2 C4 C14 119.99(17) . . ?
C14 C4 S1 119.95(14) . . ?
C3 C5 C7 120.0(2) . . ?
C3 C5 C13 118.50(19) . . ?
C13 C5 C7 121.5(2) . . ?
N1 C6 H6 105.8 . . ?
N1 C6 C8 113.12(14) . . ?
N1 C6 C12 112.76(14) . . ?
C8 C6 H6 105.8 . . ?
C12 C6 H6 105.8 . . ?
C12 C6 C8 112.72(15) . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
C10 C9 H9C 109.5 . . ?
N1 C10 C9 110.54(15) . . ?
N1 C10 H10 107.6 . . ?
N1 C10 C11 110.80(16) . . ?
C9 C10 H10 107.6 . . ?
C9 C10 C11 112.35(16) . . ?
C11 C10 H10 107.6 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C6 C12 H12A 109.5 . . ?
C6 C12 H12B 109.5 . . ?
C6 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C2 C13 H13 119.4 . . ?
C5 C13 C2 121.22(19) . . ?
C5 C13 H13 119.4 . . ?
C3 C14 C4 120.05(18) . . ?
C3 C14 H14 120.0 . . ?
C4 C14 H14 120.0 . . ?
C1 C15 H15A 109.5 . . ?
C1 C15 H15B 109.5 . . ?
C1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 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 N2 C1 N1 179.28(12) . . . . ?
S1 N2 C1 C15 -1.0(3) . . . . ?
S1 C4 C14 C3 175.84(17) . . . . ?
O1 S1 N2 C1 62.97(16) . . . . ?
O1 S1 C4 C2 13.87(17) . . . . ?
O1 S1 C4 C14 -163.09(15) . . . . ?
O2 S1 N2 C1 -69.11(16) . . . . ?
O2 S1 C4 C2 138.94(15) . . . . ?
O2 S1 C4 C14 -38.03(17) . . . . ?
N2 S1 C4 C2 -104.29(16) . . . . ?
N2 S1 C4 C14 78.75(16) . . . . ?
C1 N1 C6 C8 -66.3(2) . . . . ?
C1 N1 C6 C12 63.1(2) . . . . ?
C1 N1 C10 C9 118.55(18) . . . . ?
C1 N1 C10 C11 -116.22(18) . . . . ?
C2 C4 C14 C3 -1.1(3) . . . . ?
C3 C5 C13 C2 -2.0(3) . . . . ?
C4 S1 N2 C1 177.14(14) . . . . ?
C4 C2 C13 C5 0.7(3) . . . . ?
C5 C3 C14 C4 -0.2(3) . . . . ?
C6 N1 C1 N2 3.0(2) . . . . ?
C6 N1 C1 C15 -176.70(16) . . . . ?
C6 N1 C10 C9 -62.5(2) . . . . ?
C6 N1 C10 C11 62.8(2) . . . . ?
C7 C5 C13 C2 176.8(2) . . . . ?
C10 N1 C1 N2 -178.05(16) . . . . ?
C10 N1 C1 C15 2.2(2) . . . . ?
C10 N1 C6 C8 114.77(17) . . . . ?
C10 N1 C6 C12 -115.86(17) . . . . ?
C13 C2 C4 S1 -176.09(16) . . . . ?
C13 C2 C4 C14 0.9(3) . . . . ?
C14 C3 C5 C7 -177.0(2) . . . . ?
C14 C3 C5 C13 1.7(3) . . . . ?

_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 2.767
_oxdiff_exptl_absorpt_empirical_full_min 0.359
