# Supplementary Information (SI) for Chemical Science.
# 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_38-mr-20240926a_auto
_database_code_depnum_ccdc_archive 'CCDC 2397933'
loop_
_audit_author_name
_audit_author_address
'triazene oxide'
;Nankai University
China
;
_audit_update_record             
;
2024-11-04 deposited with the CCDC.	2025-03-10 downloaded from the CCDC.
;
_audit_creation_date             2024-09-27
_audit_creation_method           
;
Olex2 1.5-ac6-020
(compiled 2024.02.14 svn.r2f8d729c for Rigaku Oxford Diffraction, GUI svn.r6966)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H17 Cl N4 O'
_chemical_formula_sum            'C16 H17 Cl N4 O'
_chemical_formula_weight         316.78
_chemical_melting_point          ?
_chemical_oxdiff_formula         C16H17N4OCl
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'
Cl Cl 0.1484 0.1585 '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'

_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           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   7.5060(2)
_cell_length_b                   11.5648(2)
_cell_length_c                   34.8112(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.678(2)
_cell_angle_gamma                90
_cell_volume                     3021.59(11)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    12647
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      39.0750
_cell_measurement_theta_min      3.4070
_shelx_estimated_absorpt_T_max   0.960
_shelx_estimated_absorpt_T_min   0.899
_exptl_absorpt_coefficient_mu    0.260
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83133
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.136a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0738
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            27068
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.572
_diffrn_reflns_theta_min         3.236
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.999
_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     18.00  45.00   0.50    1.00    --   -0.38  58.00-179.33   54
  2  ω     12.00  37.00   0.50    1.00    --   -0.38  67.00-105.04   50
  3  ω     13.00  41.00   0.50    1.00    --   -0.38  66.00 -90.27   56
  4  ω     16.00  42.00   0.50    1.00    --    8.02  19.00  30.00   52
  5  ω     15.00  41.00   0.50    1.00    --   -0.38  53.00  99.18   52
  6  ω    -58.00 -33.00   0.50    1.00    --   -8.77 -19.00  90.00   50
  7  ω    -41.00 -16.00   0.50    1.00    --   -0.38 -68.00  53.60   50
  8  ω    -41.00  -9.00   0.50    1.00    --    6.00 -38.00-102.27   64
  9  ω     12.00  38.00   0.50    0.05    --   -0.38  66.00 138.75   52
 10  ω     12.00  37.00   0.50    0.05    --   -0.38  67.00-164.19   50
 11  ω     15.00  40.00   0.50    0.05    --   -0.38  52.00  -7.27   50
 12  ω     15.00  40.00   0.50    0.05    --   -0.38  55.00  -8.27   50
 13  ω     13.00  38.00   0.50    0.05    --   -0.38  61.00-133.12   50
 14  ω     25.00  52.00   0.50    0.05    --    8.02  19.00  30.00   54
 15  ω     21.00  48.00   0.50    0.05    --    8.02  19.00-180.00   54
 16  ω    -57.00 -27.00   0.50    0.05    --   -8.77 -19.00-180.00   60
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0122474000
_diffrn_orient_matrix_UB_12      -0.0479861000
_diffrn_orient_matrix_UB_13      0.0123837000
_diffrn_orient_matrix_UB_21      -0.0034551000
_diffrn_orient_matrix_UB_22      -0.0374085000
_diffrn_orient_matrix_UB_23      -0.0161371000
_diffrn_orient_matrix_UB_31      0.0936349000
_diffrn_orient_matrix_UB_32      -0.0076778000
_diffrn_orient_matrix_UB_33      0.0012689000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3589
_reflns_number_total             4240
_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 1.171.43.136a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.136a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.136a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-ac6-020 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac6-020 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.364
_refine_diff_density_min         -0.343
_refine_diff_density_rms         0.066
_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     199
_refine_ls_number_reflns         4240
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0366
_refine_ls_restrained_S_all      1.054
_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)+(0.0475P)²+1.4174P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0993
_refine_ls_wR_factor_ref         0.1036
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16)
;
_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
Cl1 Cl 0.44975(5) 0.65569(3) 0.47054(2) 0.03044(10) Uani 1 1 d . . . . .
O1 O 0.66018(12) 0.49467(7) 0.29494(2) 0.01999(18) Uani 1 1 d . . . . .
N1 N 0.57942(12) 0.58701(8) 0.30418(2) 0.01436(18) Uani 1 1 d . . . . .
N2 N 0.52563(13) 0.66715(8) 0.28132(2) 0.01594(19) Uani 1 1 d . . . . .
N3 N 0.56087(13) 0.64544(7) 0.24292(2) 0.01504(18) Uani 1 1 d . . . . .
N4 N 0.46658(13) 0.63777(8) 0.16255(2) 0.01503(18) Uani 1 1 d . . . . .
C1 C 0.54554(14) 0.60758(9) 0.34481(3) 0.0142(2) Uani 1 1 d . . . . .
C2 C 0.61499(15) 0.52751(9) 0.37067(3) 0.0171(2) Uani 1 1 d . . . . .
H2 H 0.681480 0.463131 0.361795 0.021 Uiso 1 1 calc R U . . .
C3 C 0.58590(16) 0.54278(10) 0.40981(3) 0.0194(2) Uani 1 1 d . . . . .
H3 H 0.631216 0.488585 0.427954 0.023 Uiso 1 1 calc R U . . .
C4 C 0.49019(16) 0.63792(10) 0.42183(3) 0.0192(2) Uani 1 1 d . . . . .
C5 C 0.42192(15) 0.71885(10) 0.39606(3) 0.0185(2) Uani 1 1 d . . . . .
H5 H 0.357689 0.784053 0.405047 0.022 Uiso 1 1 calc R U . . .
C6 C 0.44893(15) 0.70310(9) 0.35685(3) 0.0170(2) Uani 1 1 d . . . . .
H6 H 0.402097 0.756742 0.338695 0.020 Uiso 1 1 calc R U . . .
C7 C 0.46930(15) 0.54334(9) 0.22632(3) 0.0168(2) Uani 1 1 d . . . . .
H7A H 0.338899 0.551582 0.229269 0.020 Uiso 1 1 calc R U . . .
H7B H 0.507813 0.472630 0.240130 0.020 Uiso 1 1 calc R U . . .
C8 C 0.51389(15) 0.53271(9) 0.18399(3) 0.0156(2) Uani 1 1 d . . . . .
H8A H 0.643047 0.517730 0.181388 0.019 Uiso 1 1 calc R U . . .
H8B H 0.448700 0.466048 0.172830 0.019 Uiso 1 1 calc R U . . .
C9 C 0.55715(16) 0.73759(9) 0.17970(3) 0.0182(2) Uani 1 1 d . . . . .
H9A H 0.522383 0.808574 0.165595 0.022 Uiso 1 1 calc R U . . .
H9B H 0.687649 0.727874 0.177441 0.022 Uiso 1 1 calc R U . . .
C10 C 0.50937(16) 0.75033(9) 0.22165(3) 0.0183(2) Uani 1 1 d . . . . .
H10A H 0.571856 0.818157 0.232739 0.022 Uiso 1 1 calc R U . . .
H10B H 0.379532 0.763194 0.223931 0.022 Uiso 1 1 calc R U . . .
C11 C 0.47512(15) 0.62904(9) 0.12192(3) 0.0154(2) Uani 1 1 d . . . . .
C12 C 0.39543(16) 0.53494(10) 0.10298(3) 0.0190(2) Uani 1 1 d . . . . .
H12 H 0.344207 0.474349 0.117600 0.023 Uiso 1 1 calc R U . . .
C13 C 0.39042(17) 0.52920(11) 0.06303(3) 0.0230(2) Uani 1 1 d . . . . .
H13 H 0.336528 0.464516 0.050730 0.028 Uiso 1 1 calc R U . . .
C14 C 0.46337(18) 0.61700(11) 0.04094(3) 0.0246(3) Uani 1 1 d . . . . .
H14 H 0.456808 0.613919 0.013687 0.029 Uiso 1 1 calc R U . . .
C15 C 0.54587(17) 0.70914(11) 0.05938(3) 0.0235(2) Uani 1 1 d . . . . .
H15 H 0.597979 0.768961 0.044560 0.028 Uiso 1 1 calc R U . . .
C16 C 0.55347(16) 0.71529(10) 0.09941(3) 0.0190(2) Uani 1 1 d . . . . .
H16 H 0.612266 0.778510 0.111516 0.023 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
Cl1 C4 1.7384(11) . ?
O1 N1 1.2711(12) . ?
N1 N2 1.2836(12) . ?
N1 C1 1.4598(12) . ?
N2 N3 1.3884(11) . ?
N3 C7 1.4804(13) . ?
N3 C10 1.4706(13) . ?
N4 C8 1.4672(13) . ?
N4 C9 1.4634(13) . ?
N4 C11 1.4202(12) . ?
C1 C2 1.3887(14) . ?
C1 C6 1.3889(15) . ?
C2 H2 0.9500 . ?
C2 C3 1.3935(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.3816(16) . ?
C4 C5 1.3902(15) . ?
C5 H5 0.9500 . ?
C5 C6 1.3941(13) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.5200(13) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.5149(14) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.4026(15) . ?
C11 C16 1.4020(15) . ?
C12 H12 0.9500 . ?
C12 C13 1.3923(14) . ?
C13 H13 0.9500 . ?
C13 C14 1.3902(17) . ?
C14 H14 0.9500 . ?
C14 C15 1.3862(17) . ?
C15 H15 0.9500 . ?
C15 C16 1.3958(14) . ?
C16 H16 0.9500 . ?

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 N1 N2 126.67(8) . . ?
O1 N1 C1 118.11(8) . . ?
N2 N1 C1 115.21(8) . . ?
N1 N2 N3 113.84(8) . . ?
N2 N3 C7 115.29(8) . . ?
N2 N3 C10 106.49(8) . . ?
C10 N3 C7 110.08(8) . . ?
C9 N4 C8 109.71(8) . . ?
C11 N4 C8 115.73(8) . . ?
C11 N4 C9 115.86(8) . . ?
C2 C1 N1 116.81(9) . . ?
C2 C1 C6 121.88(9) . . ?
C6 C1 N1 121.30(9) . . ?
C1 C2 H2 120.4 . . ?
C1 C2 C3 119.16(10) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 119.02(10) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 Cl1 119.14(8) . . ?
C3 C4 C5 121.99(9) . . ?
C5 C4 Cl1 118.85(9) . . ?
C4 C5 H5 120.4 . . ?
C4 C5 C6 119.14(10) . . ?
C6 C5 H5 120.4 . . ?
C1 C6 C5 118.80(10) . . ?
C1 C6 H6 120.6 . . ?
C5 C6 H6 120.6 . . ?
N3 C7 H7A 109.7 . . ?
N3 C7 H7B 109.7 . . ?
N3 C7 C8 109.66(8) . . ?
H7A C7 H7B 108.2 . . ?
C8 C7 H7A 109.7 . . ?
C8 C7 H7B 109.7 . . ?
N4 C8 C7 111.80(8) . . ?
N4 C8 H8A 109.3 . . ?
N4 C8 H8B 109.3 . . ?
C7 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
H8A C8 H8B 107.9 . . ?
N4 C9 H9A 109.5 . . ?
N4 C9 H9B 109.5 . . ?
N4 C9 C10 110.84(9) . . ?
H9A C9 H9B 108.1 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
N3 C10 C9 109.96(9) . . ?
N3 C10 H10A 109.7 . . ?
N3 C10 H10B 109.7 . . ?
C9 C10 H10A 109.7 . . ?
C9 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C12 C11 N4 119.95(9) . . ?
C16 C11 N4 122.02(9) . . ?
C16 C11 C12 117.95(9) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.85(10) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 119.6 . . ?
C14 C13 C12 120.77(11) . . ?
C14 C13 H13 119.6 . . ?
C13 C14 H14 120.6 . . ?
C15 C14 C13 118.82(10) . . ?
C15 C14 H14 120.6 . . ?
C14 C15 H15 119.5 . . ?
C14 C15 C16 120.95(11) . . ?
C16 C15 H15 119.5 . . ?
C11 C16 H16 119.7 . . ?
C15 C16 C11 120.61(10) . . ?
C15 C16 H16 119.7 . . ?

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
Cl1 C4 C5 C6 -177.94(9) . . . . ?
O1 N1 N2 N3 0.85(15) . . . . ?
O1 N1 C1 C2 4.07(14) . . . . ?
O1 N1 C1 C6 -176.17(10) . . . . ?
N1 N2 N3 C7 63.78(12) . . . . ?
N1 N2 N3 C10 -173.82(9) . . . . ?
N1 C1 C2 C3 -179.74(10) . . . . ?
N1 C1 C6 C5 -179.49(10) . . . . ?
N2 N1 C1 C2 -174.77(10) . . . . ?
N2 N1 C1 C6 4.99(15) . . . . ?
N2 N3 C7 C8 177.78(9) . . . . ?
N2 N3 C10 C9 175.55(9) . . . . ?
N3 C7 C8 N4 -56.82(12) . . . . ?
N4 C9 C10 N3 59.29(12) . . . . ?
N4 C11 C12 C13 175.07(10) . . . . ?
N4 C11 C16 C15 -174.31(10) . . . . ?
C1 N1 N2 N3 179.57(8) . . . . ?
C1 C2 C3 C4 -0.64(17) . . . . ?
C2 C1 C6 C5 0.26(17) . . . . ?
C2 C3 C4 Cl1 178.70(9) . . . . ?
C2 C3 C4 C5 0.03(18) . . . . ?
C3 C4 C5 C6 0.73(18) . . . . ?
C4 C5 C6 C1 -0.86(16) . . . . ?
C6 C1 C2 C3 0.50(17) . . . . ?
C7 N3 C10 C9 -58.82(12) . . . . ?
C8 N4 C9 C10 -57.63(12) . . . . ?
C8 N4 C11 C12 48.15(14) . . . . ?
C8 N4 C11 C16 -135.27(11) . . . . ?
C9 N4 C8 C7 56.85(11) . . . . ?
C9 N4 C11 C12 178.66(10) . . . . ?
C9 N4 C11 C16 -4.76(15) . . . . ?
C10 N3 C7 C8 57.32(11) . . . . ?
C11 N4 C8 C7 -169.76(9) . . . . ?
C11 N4 C9 C10 169.05(9) . . . . ?
C11 C12 C13 C14 -0.40(19) . . . . ?
C12 C11 C16 C15 2.35(17) . . . . ?
C12 C13 C14 C15 1.78(19) . . . . ?
C13 C14 C15 C16 -1.08(19) . . . . ?
C14 C15 C16 C11 -1.01(19) . . . . ?
C16 C11 C12 C13 -1.65(17) . . . . ?

_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 2.183
_oxdiff_exptl_absorpt_empirical_full_min 0.281
