# Electronic Supplementary Material (ESI) 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_g0909
_audit_block_doi                 10.5517/ccdc.csd.cc2h031p
_database_code_depnum_ccdc_archive 'CCDC 2294001'
loop_
_audit_author_name
_audit_author_address
'deng lei'
;Gannan Normal University
China
;
_audit_update_record             
;
2023-09-09 deposited with the CCDC.	2023-12-19 downloaded from the CCDC.
;
_audit_creation_date             2023-09-09
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H18 N2 O'
_chemical_formula_sum            'C22 H18 N2 O'
_chemical_formula_weight         326.38
_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'

_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                   9.63820(10)
_cell_length_b                   8.92340(10)
_cell_length_c                   19.9546(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.0630(10)
_cell_angle_gamma                90
_cell_volume                     1694.78(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5431
_cell_measurement_temperature    99.98(10)
_cell_measurement_theta_max      74.1260
_cell_measurement_theta_min      4.6390
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.623
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88795
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
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    1.279
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            8878
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.259
_diffrn_reflns_theta_min         4.488
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.98(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -15.00  12.00   0.50    0.50    --    0.00  38.00 -90.00   54
  2  ω     18.00  74.00   0.50    0.50    --    0.00  38.00 -90.00  112
  3  ω    -32.00  -6.00   0.50    0.50    --    0.00 -82.00-150.00   52
  4  ω    -32.00  30.00   0.50    0.50    --    0.00 -82.00  90.00  124
  5  ω     79.00 180.00   0.50    0.50    --   95.80  30.00  30.00  202
  6  ω     39.00  65.00   0.50    0.50    --   95.80 -61.00 150.00   52
  7  ω     13.00 112.00   0.50    0.50    --   95.80 -45.00 150.00  198
  8  ω     58.00 107.00   0.50    0.50    --   95.80 -45.00 -90.00   98
  9  ω     15.00  41.00   0.50    0.50    --   95.80 -45.00 -90.00   52
 10  ω     83.00 115.00   0.50    0.50    --   95.80 -61.00 150.00   64
 11  ω     30.00 106.00   0.50    0.50    --   95.80 -61.00 120.00  152
 12  ω     89.00 175.00   0.50    0.50    --   95.80  82.00-120.00  172
 13  ω    143.00 168.00   0.50    0.50    --   95.80  15.00   0.00   50
 14  ω     87.00 112.00   0.50    0.50    --   95.80  15.00   0.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0901791000
_diffrn_orient_matrix_UB_12      0.1407134000
_diffrn_orient_matrix_UB_13      0.0051591000
_diffrn_orient_matrix_UB_21      0.1080807000
_diffrn_orient_matrix_UB_22      0.0568826000
_diffrn_orient_matrix_UB_23      0.0597632000
_diffrn_orient_matrix_UB_31      0.0797469000
_diffrn_orient_matrix_UB_32      0.0823377000
_diffrn_orient_matrix_UB_33      -0.0501764000
_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                3051
_reflns_number_total             3353
_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 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.190
_refine_diff_density_min         -0.274
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3353
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0353
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0437P)²+0.5219P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.0933
_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:
 C13(H13A,H13B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22)
2.c :
 C15(H15)
;
_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
O1 O 0.89211(8) 0.79111(9) 0.36159(4) 0.02278(19) Uani 1 1 d . . . . .
N1 N 0.63198(9) 0.53038(10) 0.38082(4) 0.0177(2) Uani 1 1 d . . . . .
N2 N 0.74379(9) 0.59564(10) 0.35407(4) 0.0181(2) Uani 1 1 d . . . . .
C1 C 0.50741(11) 0.62099(12) 0.37833(5) 0.0178(2) Uani 1 1 d . . . . .
C2 C 0.47691(12) 0.67843(13) 0.43913(5) 0.0214(2) Uani 1 1 d . . . . .
H2 H 0.539170 0.660835 0.480233 0.026 Uiso 1 1 calc R U . . .
C3 C 0.35527(12) 0.76156(13) 0.43965(6) 0.0247(3) Uani 1 1 d . . . . .
H3 H 0.334571 0.801546 0.481078 0.030 Uiso 1 1 calc R U . . .
C4 C 0.26398(12) 0.78618(13) 0.37959(6) 0.0250(3) Uani 1 1 d . . . . .
H4 H 0.179932 0.841532 0.380021 0.030 Uiso 1 1 calc R U . . .
C5 C 0.29553(12) 0.72985(13) 0.31884(6) 0.0246(3) Uani 1 1 d . . . . .
H5 H 0.233555 0.748130 0.277710 0.030 Uiso 1 1 calc R U . . .
C6 C 0.41709(12) 0.64702(13) 0.31792(6) 0.0223(2) Uani 1 1 d . . . . .
H6 H 0.438443 0.608415 0.276356 0.027 Uiso 1 1 calc R U . . .
C7 C 0.61946(11) 0.37291(12) 0.37540(5) 0.0177(2) Uani 1 1 d . . . . .
C8 C 0.73607(12) 0.28454(12) 0.36826(5) 0.0204(2) Uani 1 1 d . . . . .
H8 H 0.823347 0.330423 0.364295 0.024 Uiso 1 1 calc R U . . .
C9 C 0.72382(12) 0.12938(13) 0.36699(5) 0.0226(2) Uani 1 1 d . . . . .
H9 H 0.803212 0.069863 0.361889 0.027 Uiso 1 1 calc R U . . .
C10 C 0.59738(13) 0.05974(13) 0.37306(5) 0.0239(2) Uani 1 1 d . . . . .
H10 H 0.590147 -0.046440 0.372450 0.029 Uiso 1 1 calc R U . . .
C11 C 0.48177(12) 0.14798(13) 0.38004(5) 0.0229(2) Uani 1 1 d . . . . .
H11 H 0.394950 0.101509 0.384372 0.028 Uiso 1 1 calc R U . . .
C12 C 0.49150(12) 0.30339(13) 0.38075(5) 0.0200(2) Uani 1 1 d . . . . .
H12 H 0.411265 0.362450 0.384868 0.024 Uiso 1 1 calc R U . . .
C13 C 0.73821(12) 0.59723(13) 0.27948(5) 0.0209(2) Uani 1 1 d . . . . .
H13A H 0.661682 0.530347 0.258346 0.025 Uiso 1 1 calc R U . . .
H13B H 0.716388 0.699996 0.262298 0.025 Uiso 1 1 calc R U . . .
C14 C 0.87111(12) 0.54828(12) 0.25957(5) 0.0212(2) Uani 1 1 d . . . . .
C15 C 0.97450(12) 0.50102(14) 0.24172(5) 0.0253(3) Uani 1 1 d . . . . .
H15 H 1.057227 0.463193 0.227433 0.030 Uiso 1 1 calc R U . . .
C16 C 0.82786(11) 0.70011(12) 0.39110(5) 0.0182(2) Uani 1 1 d . . . . .
C17 C 0.84264(11) 0.69859(12) 0.46692(5) 0.0185(2) Uani 1 1 d . . . . .
C18 C 0.86993(12) 0.83585(13) 0.49975(6) 0.0225(2) Uani 1 1 d . . . . .
H18 H 0.873144 0.924782 0.473864 0.027 Uiso 1 1 calc R U . . .
C19 C 0.89241(12) 0.84300(14) 0.57010(6) 0.0253(3) Uani 1 1 d . . . . .
H19 H 0.909471 0.936928 0.592280 0.030 Uiso 1 1 calc R U . . .
C20 C 0.88997(12) 0.71302(14) 0.60804(6) 0.0238(3) Uani 1 1 d . . . . .
H20 H 0.904915 0.718021 0.656194 0.029 Uiso 1 1 calc R U . . .
C21 C 0.86574(11) 0.57587(13) 0.57572(6) 0.0227(2) Uani 1 1 d . . . . .
H21 H 0.865972 0.486844 0.601842 0.027 Uiso 1 1 calc R U . . .
C22 C 0.84109(11) 0.56792(12) 0.50526(5) 0.0201(2) Uani 1 1 d . . . . .
H22 H 0.823258 0.473869 0.483283 0.024 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
O1 C16 1.2266(13) . ?
N1 N2 1.4023(12) . ?
N1 C1 1.4419(13) . ?
N1 C7 1.4130(14) . ?
N2 C13 1.4809(13) . ?
N2 C16 1.3723(14) . ?
C1 C2 1.3904(15) . ?
C1 C6 1.3908(15) . ?
C2 H2 0.9500 . ?
C2 C3 1.3888(16) . ?
C3 H3 0.9500 . ?
C3 C4 1.3879(17) . ?
C4 H4 0.9500 . ?
C4 C5 1.3896(17) . ?
C5 H5 0.9500 . ?
C5 C6 1.3878(16) . ?
C6 H6 0.9500 . ?
C7 C8 1.3986(15) . ?
C7 C12 1.3995(15) . ?
C8 H8 0.9500 . ?
C8 C9 1.3894(16) . ?
C9 H9 0.9500 . ?
C9 C10 1.3901(16) . ?
C10 H10 0.9500 . ?
C10 C11 1.3892(16) . ?
C11 H11 0.9500 . ?
C11 C12 1.3899(16) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.4662(15) . ?
C14 C15 1.1872(16) . ?
C15 H15 0.9500 . ?
C16 C17 1.4972(14) . ?
C17 C18 1.3943(15) . ?
C17 C22 1.3960(15) . ?
C18 H18 0.9500 . ?
C18 C19 1.3877(16) . ?
C19 H19 0.9500 . ?
C19 C20 1.3874(17) . ?
C20 H20 0.9500 . ?
C20 C21 1.3859(17) . ?
C21 H21 0.9500 . ?
C21 C22 1.3903(15) . ?
C22 H22 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
N2 N1 C1 116.08(8) . . ?
N2 N1 C7 116.45(8) . . ?
C7 N1 C1 119.63(9) . . ?
N1 N2 C13 118.56(8) . . ?
C16 N2 N1 120.07(8) . . ?
C16 N2 C13 117.36(9) . . ?
C2 C1 N1 117.77(9) . . ?
C2 C1 C6 120.35(10) . . ?
C6 C1 N1 121.84(9) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.88(10) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 119.94(10) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.00(11) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.36(11) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 H6 120.3 . . ?
C5 C6 C1 119.46(10) . . ?
C5 C6 H6 120.3 . . ?
C8 C7 N1 120.54(10) . . ?
C8 C7 C12 119.33(10) . . ?
C12 C7 N1 120.04(10) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.76(10) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.13(11) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 120.5 . . ?
C11 C10 C9 118.91(10) . . ?
C11 C10 H10 120.5 . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.84(11) . . ?
C12 C11 H11 119.6 . . ?
C7 C12 H12 120.0 . . ?
C11 C12 C7 120.02(10) . . ?
C11 C12 H12 120.0 . . ?
N2 C13 H13A 109.2 . . ?
N2 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
C14 C13 N2 112.00(9) . . ?
C14 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
C15 C14 C13 175.95(12) . . ?
C14 C15 H15 180.0 . . ?
O1 C16 N2 119.41(10) . . ?
O1 C16 C17 121.09(10) . . ?
N2 C16 C17 119.48(9) . . ?
C18 C17 C16 116.59(9) . . ?
C18 C17 C22 119.59(10) . . ?
C22 C17 C16 123.63(10) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.23(11) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.01(11) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.03(10) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.34(11) . . ?
C22 C21 H21 119.8 . . ?
C17 C22 H22 120.1 . . ?
C21 C22 C17 119.78(10) . . ?
C21 C22 H22 120.1 . . ?

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
O1 C16 C17 C18 30.59(15) . . . . ?
O1 C16 C17 C22 -144.42(11) . . . . ?
N1 N2 C13 C14 -133.14(10) . . . . ?
N1 N2 C16 O1 -155.86(9) . . . . ?
N1 N2 C16 C17 25.75(14) . . . . ?
N1 C1 C2 C3 -177.55(10) . . . . ?
N1 C1 C6 C5 177.29(10) . . . . ?
N1 C7 C8 C9 176.25(9) . . . . ?
N1 C7 C12 C11 -175.64(10) . . . . ?
N2 N1 C1 C2 -108.71(11) . . . . ?
N2 N1 C1 C6 73.42(13) . . . . ?
N2 N1 C7 C8 23.15(14) . . . . ?
N2 N1 C7 C12 -160.22(9) . . . . ?
N2 C16 C17 C18 -151.04(10) . . . . ?
N2 C16 C17 C22 33.95(15) . . . . ?
C1 N1 N2 C13 -79.16(11) . . . . ?
C1 N1 N2 C16 77.76(12) . . . . ?
C1 N1 C7 C8 171.12(9) . . . . ?
C1 N1 C7 C12 -12.25(14) . . . . ?
C1 C2 C3 C4 0.47(17) . . . . ?
C2 C1 C6 C5 -0.52(17) . . . . ?
C2 C3 C4 C5 -1.11(18) . . . . ?
C3 C4 C5 C6 0.94(18) . . . . ?
C4 C5 C6 C1 -0.12(17) . . . . ?
C6 C1 C2 C3 0.35(17) . . . . ?
C7 N1 N2 C13 69.96(12) . . . . ?
C7 N1 N2 C16 -133.12(10) . . . . ?
C7 N1 C1 C2 103.20(12) . . . . ?
C7 N1 C1 C6 -74.66(13) . . . . ?
C7 C8 C9 C10 -0.33(16) . . . . ?
C8 C7 C12 C11 1.03(15) . . . . ?
C8 C9 C10 C11 0.43(16) . . . . ?
C9 C10 C11 C12 0.21(16) . . . . ?
C10 C11 C12 C7 -0.94(16) . . . . ?
C12 C7 C8 C9 -0.40(15) . . . . ?
C13 N2 C16 O1 1.33(15) . . . . ?
C13 N2 C16 C17 -177.07(9) . . . . ?
C16 N2 C13 C14 69.32(12) . . . . ?
C16 C17 C18 C19 -176.61(10) . . . . ?
C16 C17 C22 C21 175.32(10) . . . . ?
C17 C18 C19 C20 1.01(17) . . . . ?
C18 C17 C22 C21 0.46(16) . . . . ?
C18 C19 C20 C21 0.30(17) . . . . ?
C19 C20 C21 C22 -1.24(17) . . . . ?
C20 C21 C22 C17 0.86(16) . . . . ?
C22 C17 C18 C19 -1.39(16) . . . . ?

_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 1.310
_oxdiff_exptl_absorpt_empirical_full_min 0.787
