# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_ljl-hh-0626
_database_code_depnum_ccdc_archive 'CCDC 1969308'
loop_
_audit_author_name
_audit_author_address
'Huang hua A'
;Chengdu university of TCM
China
;
_audit_update_record             
;
2019-12-02 deposited with the CCDC.	2020-08-12 downloaded from the CCDC.
;
_audit_creation_date             2019-06-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H20 N2 O5 S'
_chemical_formula_sum            'C25 H20 N2 O5 S'
_chemical_formula_weight         460.49
_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.0391(5)
_cell_length_b                   15.7147(5)
_cell_length_c                   11.2733(4)
_cell_angle_alpha                90
_cell_angle_beta                 110.729(4)
_cell_angle_gamma                90
_cell_volume                     2160.43(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4806
_cell_measurement_temperature    296.26(10)
_cell_measurement_theta_max      71.5580
_cell_measurement_theta_min      4.5320
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.684
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.29444
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
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    1.416
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            11854
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.664
_diffrn_reflns_theta_min         4.590
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      296.26(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -105.00 -17.00   1.00    1.00    --  -36.29 -38.00-180.00   88
  2  ω    -53.00  31.00   1.00    1.00    --  -36.29  57.00   0.00   84
  3  ω    -53.00  31.00   1.00    1.00    --  -36.29  57.00 -60.00   84
  4  ω    -31.00  53.00   1.00    1.00    --   36.29 -57.00  90.00   84
  5  ω     23.00  90.00   1.00    1.00    --   36.29-125.00 120.00   67
  6  ω    100.00 176.00   1.00    3.31    --  106.21 111.00-150.00   76
  7  ω     39.00 124.00   1.00    3.31    --  106.21 -61.00 -60.00   85
  8  ω     85.00 176.00   1.00    3.31    --  106.21  30.00  30.00   91
  9  ω     79.00 174.00   1.00    3.31    --  106.21  77.00 -90.00   95
 10  ω     38.00 124.00   1.00    3.31    --  106.21 -45.00-120.00   86
 11  ω    100.00 176.00   1.00    3.31    --  106.21 111.00 -60.00   76
 12  ω     39.00 133.00   1.00    3.31    --  106.21 -77.00 150.00   94
 13  ω     57.00 150.00   1.00    3.31    --  106.21 178.00-150.00   93
 14  ω     20.00 104.00   1.00    1.00    --   36.29  57.00  30.00   84
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0251992000
_diffrn_orient_matrix_UB_12      -0.0830283000
_diffrn_orient_matrix_UB_13      0.0775897000
_diffrn_orient_matrix_UB_21      0.1169096000
_diffrn_orient_matrix_UB_22      -0.0004804000
_diffrn_orient_matrix_UB_23      -0.0044474000
_diffrn_orient_matrix_UB_31      0.0410951000
_diffrn_orient_matrix_UB_32      0.0521291000
_diffrn_orient_matrix_UB_33      0.1234753000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3596
_reflns_number_total             4162
_reflns_odcompleteness_completeness 99.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.423
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4162
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0747
_refine_ls_R_factor_gt           0.0689
_refine_ls_restrained_S_all      1.035
_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)+(0.1224P)²+0.5558P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1744
_refine_ls_wR_factor_ref         0.1842
_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 Ternary CH refined with riding coordinates:
 C8(H8)
2.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B)
2.c Aromatic/amide H refined with riding coordinates:
 C10(H10), C14(H14), C18(H18), C6(H6), C15(H15), C20(H20), C3(H3), C22(H22),
 C17(H17), C21(H21), C24(H24), C4(H4), C5(H5), C23(H23)
2.d Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.63648(4) 0.37392(4) 0.48832(5) 0.0463(2) Uani 1 1 d . . . . .
O5 O 0.52966(14) 0.40827(14) 0.46366(17) 0.0606(5) Uani 1 1 d . . . . .
O4 O 0.65085(17) 0.29407(12) 0.43671(19) 0.0652(5) Uani 1 1 d . . . . .
N1 N 0.68994(16) 0.36373(12) 0.64282(18) 0.0459(4) Uani 1 1 d . . . . .
O2 O 0.90815(18) 0.51820(16) 0.7521(3) 0.0851(7) Uani 1 1 d . . . . .
O3 O 0.7719(2) 0.59048(14) 0.7610(3) 0.0882(8) Uani 1 1 d . . . . .
N2 N 0.82557(18) 0.52539(14) 0.7757(2) 0.0563(5) Uani 1 1 d . . . . .
O1 O 0.8633(2) 0.5110(2) 1.0256(2) 0.0988(10) Uani 1 1 d . . . . .
C8 C 0.66639(18) 0.42605(14) 0.72899(19) 0.0423(5) Uani 1 1 d . . . . .
H8 H 0.6310 0.4771 0.6824 0.051 Uiso 1 1 calc R . . . .
C11 C 0.60668(17) 0.40325(14) 0.92355(19) 0.0421(5) Uani 1 1 d . . . . .
C19 C 0.52031(18) 0.37415(13) 0.9713(2) 0.0422(5) Uani 1 1 d . . . . .
C13 C 0.71549(17) 0.44838(14) 0.44310(19) 0.0433(5) Uani 1 1 d . . . . .
C1 C 0.78079(19) 0.44713(16) 0.8249(2) 0.0491(5) Uani 1 1 d . . . . .
C10 C 0.6968(2) 0.44334(17) 0.9979(2) 0.0514(5) Uani 1 1 d . . . . .
H10 H 0.7035 0.4536 1.0816 0.062 Uiso 1 1 calc R . . . .
C2 C 0.8462(2) 0.36932(16) 0.8205(2) 0.0512(6) Uani 1 1 d . . . . .
C7 C 0.79271(19) 0.32497(15) 0.7089(2) 0.0494(5) Uani 1 1 d . . . . .
C12 C 0.59162(18) 0.38141(16) 0.7888(2) 0.0475(5) Uani 1 1 d . . . . .
H12A H 0.5162 0.3938 0.7367 0.057 Uiso 1 1 calc R . . . .
H12B H 0.6018 0.3205 0.7843 0.057 Uiso 1 1 calc R . . . .
C14 C 0.7995(2) 0.42030(16) 0.4043(3) 0.0558(6) Uani 1 1 d . . . . .
H14 H 0.8136 0.3624 0.4022 0.067 Uiso 1 1 calc R . . . .
C18 C 0.6952(2) 0.53434(16) 0.4486(2) 0.0526(6) Uani 1 1 d . . . . .
H18 H 0.6397 0.5532 0.4758 0.063 Uiso 1 1 calc R . . . .
C16 C 0.8423(2) 0.56530(17) 0.3713(2) 0.0574(6) Uani 1 1 d . . . . .
C6 C 0.8379(2) 0.25248(17) 0.6769(3) 0.0628(7) Uani 1 1 d . . . . .
H6 H 0.8023 0.2235 0.6016 0.075 Uiso 1 1 calc R . . . .
C15 C 0.8615(2) 0.47870(18) 0.3688(3) 0.0627(7) Uani 1 1 d . . . . .
H15 H 0.9176 0.4597 0.3426 0.075 Uiso 1 1 calc R . . . .
C9 C 0.7845(2) 0.47187(19) 0.9578(2) 0.0588(6) Uani 1 1 d . . . . .
C20 C 0.5242(2) 0.3933(2) 1.0927(3) 0.0631(7) Uani 1 1 d . . . . .
H20 H 0.5826 0.4250 1.1460 0.076 Uiso 1 1 calc R . . . .
C3 C 0.9456(2) 0.3407(2) 0.9047(3) 0.0699(8) Uani 1 1 d . . . . .
H3 H 0.9811 0.3693 0.9804 0.084 Uiso 1 1 calc R . . . .
C22 C 0.3583(2) 0.31895(18) 1.0623(3) 0.0635(7) Uani 1 1 d . . . . .
H22 H 0.3033 0.3019 1.0917 0.076 Uiso 1 1 calc R . . . .
C17 C 0.7590(2) 0.59158(17) 0.4128(3) 0.0602(6) Uani 1 1 d . . . . .
H17 H 0.7458 0.6495 0.4167 0.072 Uiso 1 1 calc R . . . .
C21 C 0.4432(3) 0.3663(2) 1.1362(3) 0.0691(8) Uani 1 1 d . . . . .
H21 H 0.4471 0.3809 1.2177 0.083 Uiso 1 1 calc R . . . .
C24 C 0.4349(2) 0.3234(2) 0.8984(3) 0.0714(8) Uani 1 1 d . . . . .
H24 H 0.4315 0.3071 0.8178 0.086 Uiso 1 1 calc R . . . .
C4 C 0.9907(3) 0.2681(2) 0.8731(4) 0.0827(11) Uani 1 1 d . . . . .
H4 H 1.0577 0.2480 0.9282 0.099 Uiso 1 1 calc R . . . .
C5 C 0.9376(3) 0.2251(2) 0.7610(4) 0.0765(10) Uani 1 1 d . . . . .
H5 H 0.9698 0.1767 0.7420 0.092 Uiso 1 1 calc R . . . .
C23 C 0.3540(3) 0.2962(3) 0.9430(3) 0.0840(10) Uani 1 1 d . . . . .
H23 H 0.2967 0.2624 0.8920 0.101 Uiso 1 1 calc R . . . .
C25 C 0.9096(3) 0.6274(2) 0.3286(4) 0.0840(10) Uani 1 1 d . . . . .
H25A H 0.9806 0.6333 0.3936 0.126 Uiso 1 1 calc GR . . . .
H25B H 0.8735 0.6817 0.3127 0.126 Uiso 1 1 calc GR . . . .
H25C H 0.9178 0.6070 0.2522 0.126 Uiso 1 1 calc GR . . . .


_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 O5 1.4264(19) . ?
S1 O4 1.4231(19) . ?
S1 N1 1.6388(19) . ?
S1 C13 1.750(2) . ?
N1 C8 1.486(3) . ?
N1 C7 1.420(3) . ?
O2 N2 1.203(3) . ?
O3 N2 1.217(3) . ?
N2 C1 1.546(3) . ?
O1 C9 1.209(3) . ?
C8 H8 0.9800 . ?
C8 C1 1.537(3) . ?
C8 C12 1.537(3) . ?
C11 C19 1.482(3) . ?
C11 C10 1.336(3) . ?
C11 C12 1.501(3) . ?
C19 C20 1.385(3) . ?
C19 C24 1.380(4) . ?
C13 C14 1.387(3) . ?
C13 C18 1.382(3) . ?
C1 C2 1.502(4) . ?
C1 C9 1.532(3) . ?
C10 H10 0.9300 . ?
C10 C9 1.441(3) . ?
C2 C7 1.390(4) . ?
C2 C3 1.383(4) . ?
C7 C6 1.388(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C14 H14 0.9300 . ?
C14 C15 1.373(4) . ?
C18 H18 0.9300 . ?
C18 C17 1.378(4) . ?
C16 C15 1.386(4) . ?
C16 C17 1.389(4) . ?
C16 C25 1.501(4) . ?
C6 H6 0.9300 . ?
C6 C5 1.379(4) . ?
C15 H15 0.9300 . ?
C20 H20 0.9300 . ?
C20 C21 1.380(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.386(5) . ?
C22 H22 0.9300 . ?
C22 C21 1.349(4) . ?
C22 C23 1.373(4) . ?
C17 H17 0.9300 . ?
C21 H21 0.9300 . ?
C24 H24 0.9300 . ?
C24 C23 1.387(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.383(6) . ?
C5 H5 0.9300 . ?
C23 H23 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 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
O5 S1 N1 105.24(10) . . ?
O5 S1 C13 108.97(11) . . ?
O4 S1 O5 120.98(12) . . ?
O4 S1 N1 106.28(11) . . ?
O4 S1 C13 107.11(11) . . ?
N1 S1 C13 107.59(10) . . ?
C8 N1 S1 121.45(15) . . ?
C7 N1 S1 124.57(16) . . ?
C7 N1 C8 108.33(18) . . ?
O2 N2 O3 124.4(2) . . ?
O2 N2 C1 119.1(2) . . ?
O3 N2 C1 116.5(2) . . ?
N1 C8 H8 110.9 . . ?
N1 C8 C1 103.20(17) . . ?
N1 C8 C12 107.20(18) . . ?
C1 C8 H8 110.9 . . ?
C12 C8 H8 110.9 . . ?
C12 C8 C1 113.47(18) . . ?
C19 C11 C12 116.93(19) . . ?
C10 C11 C19 122.1(2) . . ?
C10 C11 C12 120.9(2) . . ?
C20 C19 C11 121.7(2) . . ?
C24 C19 C11 121.3(2) . . ?
C24 C19 C20 117.0(2) . . ?
C14 C13 S1 119.41(18) . . ?
C18 C13 S1 119.93(17) . . ?
C18 C13 C14 120.6(2) . . ?
C8 C1 N2 108.35(18) . . ?
C2 C1 N2 110.16(19) . . ?
C2 C1 C8 102.85(19) . . ?
C2 C1 C9 114.7(2) . . ?
C9 C1 N2 105.29(19) . . ?
C9 C1 C8 115.44(19) . . ?
C11 C10 H10 117.6 . . ?
C11 C10 C9 124.7(2) . . ?
C9 C10 H10 117.6 . . ?
C7 C2 C1 109.2(2) . . ?
C3 C2 C1 130.3(3) . . ?
C3 C2 C7 120.4(3) . . ?
C2 C7 N1 109.8(2) . . ?
C6 C7 N1 128.6(2) . . ?
C6 C7 C2 121.6(2) . . ?
C8 C12 H12A 107.9 . . ?
C8 C12 H12B 107.9 . . ?
C11 C12 C8 117.61(19) . . ?
C11 C12 H12A 107.9 . . ?
C11 C12 H12B 107.9 . . ?
H12A C12 H12B 107.2 . . ?
C13 C14 H14 120.3 . . ?
C15 C14 C13 119.4(2) . . ?
C15 C14 H14 120.3 . . ?
C13 C18 H18 120.6 . . ?
C17 C18 C13 118.7(2) . . ?
C17 C18 H18 120.6 . . ?
C15 C16 C17 117.8(2) . . ?
C15 C16 C25 120.1(3) . . ?
C17 C16 C25 122.0(3) . . ?
C7 C6 H6 121.3 . . ?
C5 C6 C7 117.4(3) . . ?
C5 C6 H6 121.3 . . ?
C14 C15 C16 121.5(2) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 H15 119.3 . . ?
O1 C9 C1 118.2(2) . . ?
O1 C9 C10 123.4(2) . . ?
C10 C9 C1 118.3(2) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 C19 121.3(3) . . ?
C21 C20 H20 119.3 . . ?
C2 C3 H3 121.0 . . ?
C2 C3 C4 118.1(3) . . ?
C4 C3 H3 121.0 . . ?
C21 C22 H22 120.3 . . ?
C21 C22 C23 119.3(2) . . ?
C23 C22 H22 120.3 . . ?
C18 C17 C16 121.9(2) . . ?
C18 C17 H17 119.0 . . ?
C16 C17 H17 119.0 . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.9(3) . . ?
C22 C21 H21 119.6 . . ?
C19 C24 H24 119.4 . . ?
C19 C24 C23 121.3(3) . . ?
C23 C24 H24 119.4 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.1(3) . . ?
C5 C4 H4 119.5 . . ?
C6 C5 C4 121.4(3) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C22 C23 C24 120.1(3) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C16 C25 H25A 109.5 . . ?
C16 C25 H25B 109.5 . . ?
C16 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

_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 2.773
_oxdiff_exptl_absorpt_empirical_full_min 0.739
