# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_liaoshengrong_lsr4-197-1_collect
_database_code_depnum_ccdc_archive 'CCDC 2097492'
loop_
_audit_author_name
_audit_author_address
'Shengrong Liao'
;SCSIO
China
;
_audit_update_record             
;
2021-07-19 deposited with the CCDC.	2021-09-02 downloaded from the CCDC.
;
_audit_creation_date             2021-07-13
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H16 N2 O2'
_chemical_formula_sum            'C22 H16 N2 O2'
_chemical_formula_weight         340.37
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C92 H64 N4 O8 '
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                   19.2136(2)
_cell_length_b                   10.69070(10)
_cell_length_c                   8.13480(10)
_cell_angle_alpha                90
_cell_angle_beta                 98.4000(10)
_cell_angle_gamma                90
_cell_volume                     1653.02(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6265
_cell_measurement_temperature    110(15)
_cell_measurement_theta_max      74.0890
_cell_measurement_theta_min      6.2220
_shelx_estimated_absorpt_T_max   0.972
_shelx_estimated_absorpt_T_min   0.952
_exptl_absorpt_coefficient_mu    0.712
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72604
_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_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            8977
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.392
_diffrn_reflns_theta_min         4.653
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110(15)
_diffrn_detector                 'Pilatus3R 200K-A'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -31.00  29.00   0.50    0.50    --    0.00 -82.00 120.00  120
  2  ω     -9.00  30.00   0.50    0.50    --    0.00 -82.00-180.00   78
  3  ω    -17.00   9.00   0.50    0.50    --    0.00 -82.00-150.00   52
  4  ω    -30.00  25.00   0.50    0.50    --    0.00 -82.00 -30.00  110
  5  ω      6.00 126.00   0.50    1.60    --   95.80 -82.00 -60.00  240
  6  ω     81.00 185.00   0.50    1.60    --   95.80  30.00-180.00  208
  7  ω     40.00  92.00   0.50    1.60    --   95.80 -61.00 -60.00  104
  8  ω      6.00  87.00   0.50    1.60    --   95.80 -30.00 -30.00  162
  9  ω    149.00 181.00   0.50    1.60    --   95.80  45.00  30.00   64
 10  ω     10.00  37.00   0.50    1.60    --   95.80 -61.00 -60.00   54
 11  ω     90.00 116.00   0.50    1.60    --   95.80 -61.00-180.00   52
 12  ω    158.00 184.00   0.50    1.60    --   95.80  82.00-180.00   52
 13  ω     73.00 185.00   0.50    1.60    --   95.80  15.00 120.00  224
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0289588000
_diffrn_orient_matrix_UB_12      0.1310280000
_diffrn_orient_matrix_UB_13      0.0302163000
_diffrn_orient_matrix_UB_21      -0.0748018000
_diffrn_orient_matrix_UB_22      -0.0441349000
_diffrn_orient_matrix_UB_23      -0.0701907000
_diffrn_orient_matrix_UB_31      -0.0119040000
_diffrn_orient_matrix_UB_32      -0.0402893000
_diffrn_orient_matrix_UB_33      0.1755830000
_diffrn_radiation_monochromator  graphite
_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              'MicroMax 007 (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2978
_reflns_number_total             3264
_reflns_odcompleteness_completeness 99.62
_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 1.171.39.33c (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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.168
_refine_diff_density_min         -0.237
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         3264
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.068
_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)+(0.0590P)²+0.5099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1121
_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:
 C5(H5), C21(H21), C9(H9), C13(H13), C17(H17), C4(H4), C3(H3), C10(H10),
 C2(H2), C11(H11), C12(H12), C20(H20), C18(H18)
2.b Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C)
;
_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
O2 O 0.74259(5) 0.17581(9) 0.25991(12) 0.0303(2) Uani 1 1 d . . . . .
O1 O 0.72641(5) 0.44727(9) 0.11342(12) 0.0317(2) Uani 1 1 d . . . . .
N2 N 0.86393(5) 0.23050(10) 0.50480(13) 0.0232(2) Uani 1 1 d . . . . .
N1 N 0.90166(6) 0.42075(10) 0.59931(13) 0.0262(3) Uani 1 1 d . . . . .
C6 C 0.81626(6) 0.31903(12) 0.42585(15) 0.0232(3) Uani 1 1 d . . . . .
C16 C 0.63368(6) 0.38810(12) 0.26148(15) 0.0243(3) Uani 1 1 d . . . . .
C8 C 0.81469(7) 0.56173(12) 0.45176(15) 0.0248(3) Uani 1 1 d . . . . .
C7 C 0.84225(6) 0.43469(12) 0.48972(15) 0.0238(3) Uani 1 1 d . . . . .
C1 C 0.91415(6) 0.29715(13) 0.60931(16) 0.0250(3) Uani 1 1 d . . . . .
C15 C 0.70689(7) 0.38348(12) 0.22213(15) 0.0247(3) Uani 1 1 d . . . . .
C5 C 0.86666(7) 0.10300(12) 0.49121(16) 0.0257(3) Uani 1 1 d . . . . .
H5 H 0.8330 0.0601 0.4187 0.031 Uiso 1 1 calc R U . . .
C14 C 0.75664(6) 0.28357(12) 0.30714(15) 0.0241(3) Uani 1 1 d . . . . .
C21 C 0.58780(7) 0.47833(13) 0.18412(16) 0.0282(3) Uani 1 1 d . . . . .
H21 H 0.6035 0.5352 0.1112 0.034 Uiso 1 1 calc R U . . .
C9 C 0.74706(7) 0.59618(13) 0.47614(16) 0.0271(3) Uani 1 1 d . . . . .
H9 H 0.7174 0.5376 0.5143 0.033 Uiso 1 1 calc R U . . .
C13 C 0.85903(7) 0.65154(13) 0.39746(16) 0.0279(3) Uani 1 1 d . . . . .
H13 H 0.9049 0.6302 0.3852 0.034 Uiso 1 1 calc R U . . .
C17 C 0.60982(7) 0.30590(13) 0.37411(17) 0.0283(3) Uani 1 1 d . . . . .
H17 H 0.6402 0.2466 0.4287 0.034 Uiso 1 1 calc R U . . .
C4 C 0.91967(7) 0.04041(13) 0.58614(17) 0.0289(3) Uani 1 1 d . . . . .
H4 H 0.9222 -0.0462 0.5776 0.035 Uiso 1 1 calc R U . . .
C3 C 0.97089(7) 0.10438(14) 0.69731(17) 0.0301(3) Uani 1 1 d . . . . .
H3 H 1.0064 0.0600 0.7623 0.036 Uiso 1 1 calc R U . . .
C10 C 0.72392(7) 0.71788(13) 0.44349(17) 0.0299(3) Uani 1 1 d . . . . .
H10 H 0.6788 0.7406 0.4606 0.036 Uiso 1 1 calc R U . . .
C2 C 0.96806(7) 0.23179(13) 0.70903(17) 0.0284(3) Uani 1 1 d . . . . .
H2 H 1.0014 0.2747 0.7822 0.034 Uiso 1 1 calc R U . . .
C11 C 0.76732(7) 0.80569(13) 0.38568(17) 0.0303(3) Uani 1 1 d . . . . .
H11 H 0.7513 0.8868 0.3629 0.036 Uiso 1 1 calc R U . . .
C12 C 0.83512(7) 0.77205(13) 0.36173(17) 0.0297(3) Uani 1 1 d . . . . .
H12 H 0.8643 0.8305 0.3217 0.036 Uiso 1 1 calc R U . . .
C19 C 0.49414(7) 0.40015(13) 0.32416(17) 0.0291(3) Uani 1 1 d . . . . .
C20 C 0.51913(7) 0.48379(14) 0.21519(17) 0.0305(3) Uani 1 1 d . . . . .
H20 H 0.4890 0.5444 0.1625 0.037 Uiso 1 1 calc R U . . .
C18 C 0.54055(7) 0.31265(13) 0.40476(18) 0.0305(3) Uani 1 1 d . . . . .
H18 H 0.5251 0.2577 0.4804 0.037 Uiso 1 1 calc R U . . .
C22 C 0.41829(7) 0.40435(16) 0.35277(19) 0.0378(4) Uani 1 1 d . . . . .
H22A H 0.3954 0.4750 0.2954 0.057 Uiso 1 1 calc R U . . .
H22B H 0.4163 0.4119 0.4696 0.057 Uiso 1 1 calc R U . . .
H22C H 0.3949 0.3289 0.3115 0.057 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
O2 C14 1.2318(16) . ?
O1 C15 1.2184(16) . ?
N2 C6 1.4054(16) . ?
N2 C1 1.3863(16) . ?
N2 C5 1.3691(17) . ?
N1 C7 1.3500(17) . ?
N1 C1 1.3433(17) . ?
C6 C7 1.4044(17) . ?
C6 C14 1.4371(17) . ?
C16 C15 1.4882(17) . ?
C16 C21 1.3933(18) . ?
C16 C17 1.3946(18) . ?
C8 C7 1.4740(18) . ?
C8 C9 1.3925(18) . ?
C8 C13 1.3973(18) . ?
C1 C2 1.4049(18) . ?
C15 C14 1.5296(18) . ?
C5 H5 0.9300 . ?
C5 C4 1.3608(19) . ?
C21 H21 0.9300 . ?
C21 C20 1.3805(19) . ?
C9 H9 0.9300 . ?
C9 C10 1.3879(19) . ?
C13 H13 0.9300 . ?
C13 C12 1.3844(19) . ?
C17 H17 0.9300 . ?
C17 C18 1.3913(19) . ?
C4 H4 0.9300 . ?
C4 C3 1.412(2) . ?
C3 H3 0.9300 . ?
C3 C2 1.367(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.3828(19) . ?
C2 H2 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.3922(19) . ?
C12 H12 0.9300 . ?
C19 C20 1.393(2) . ?
C19 C18 1.389(2) . ?
C19 C22 1.5097(18) . ?
C20 H20 0.9300 . ?
C18 H18 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 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
C1 N2 C6 106.43(10) . . ?
C5 N2 C6 131.58(11) . . ?
C5 N2 C1 121.99(11) . . ?
C1 N1 C7 105.96(11) . . ?
N2 C6 C14 122.12(11) . . ?
C7 C6 N2 104.54(11) . . ?
C7 C6 C14 133.33(12) . . ?
C21 C16 C15 118.77(11) . . ?
C21 C16 C17 119.07(12) . . ?
C17 C16 C15 122.15(12) . . ?
C9 C8 C7 121.87(11) . . ?
C9 C8 C13 119.21(12) . . ?
C13 C8 C7 118.84(11) . . ?
N1 C7 C6 111.57(11) . . ?
N1 C7 C8 118.90(11) . . ?
C6 C7 C8 129.52(11) . . ?
N2 C1 C2 119.14(12) . . ?
N1 C1 N2 111.49(11) . . ?
N1 C1 C2 129.37(12) . . ?
O1 C15 C16 122.57(12) . . ?
O1 C15 C14 118.73(11) . . ?
C16 C15 C14 118.28(10) . . ?
N2 C5 H5 120.7 . . ?
C4 C5 N2 118.56(12) . . ?
C4 C5 H5 120.7 . . ?
O2 C14 C6 124.97(12) . . ?
O2 C14 C15 114.71(11) . . ?
C6 C14 C15 120.25(11) . . ?
C16 C21 H21 119.8 . . ?
C20 C21 C16 120.34(12) . . ?
C20 C21 H21 119.8 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.01(12) . . ?
C10 C9 H9 120.0 . . ?
C8 C13 H13 119.8 . . ?
C12 C13 C8 120.45(12) . . ?
C12 C13 H13 119.8 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.00(12) . . ?
C18 C17 H17 120.0 . . ?
C5 C4 H4 119.4 . . ?
C5 C4 C3 121.27(13) . . ?
C3 C4 H4 119.4 . . ?
C4 C3 H3 120.1 . . ?
C2 C3 C4 119.75(13) . . ?
C2 C3 H3 120.1 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.62(12) . . ?
C11 C10 H10 119.7 . . ?
C1 C2 H2 120.4 . . ?
C3 C2 C1 119.26(13) . . ?
C3 C2 H2 120.4 . . ?
C10 C11 H11 120.2 . . ?
C10 C11 C12 119.68(13) . . ?
C12 C11 H11 120.2 . . ?
C13 C12 C11 119.98(12) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C20 C19 C22 120.62(13) . . ?
C18 C19 C20 118.40(12) . . ?
C18 C19 C22 120.99(13) . . ?
C21 C20 C19 121.12(13) . . ?
C21 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 121.02(12) . . ?
C19 C18 H18 119.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 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
O1 C15 C14 O2 -102.53(14) . . . . ?
O1 C15 C14 C6 74.56(15) . . . . ?
N2 C6 C7 N1 0.33(13) . . . . ?
N2 C6 C7 C8 179.33(12) . . . . ?
N2 C6 C14 O2 -2.18(19) . . . . ?
N2 C6 C14 C15 -178.94(10) . . . . ?
N2 C1 C2 C3 1.83(18) . . . . ?
N2 C5 C4 C3 0.30(18) . . . . ?
N1 C1 C2 C3 -179.37(12) . . . . ?
C6 N2 C1 N1 -0.83(13) . . . . ?
C6 N2 C1 C2 178.18(11) . . . . ?
C6 N2 C5 C4 -179.42(12) . . . . ?
C16 C15 C14 O2 70.21(15) . . . . ?
C16 C15 C14 C6 -112.71(13) . . . . ?
C16 C21 C20 C19 0.2(2) . . . . ?
C16 C17 C18 C19 0.3(2) . . . . ?
C8 C9 C10 C11 0.4(2) . . . . ?
C8 C13 C12 C11 2.4(2) . . . . ?
C7 N1 C1 N2 1.02(14) . . . . ?
C7 N1 C1 C2 -177.86(13) . . . . ?
C7 C6 C14 O2 177.25(12) . . . . ?
C7 C6 C14 C15 0.5(2) . . . . ?
C7 C8 C9 C10 178.07(12) . . . . ?
C7 C8 C13 C12 -179.56(12) . . . . ?
C1 N2 C6 C7 0.29(12) . . . . ?
C1 N2 C6 C14 179.85(11) . . . . ?
C1 N2 C5 C4 1.35(17) . . . . ?
C1 N1 C7 C6 -0.83(14) . . . . ?
C1 N1 C7 C8 -179.95(11) . . . . ?
C15 C16 C21 C20 178.73(12) . . . . ?
C15 C16 C17 C18 -178.97(12) . . . . ?
C5 N2 C6 C7 -179.03(12) . . . . ?
C5 N2 C6 C14 0.53(19) . . . . ?
C5 N2 C1 N1 178.57(10) . . . . ?
C5 N2 C1 C2 -2.42(17) . . . . ?
C5 C4 C3 C2 -0.83(19) . . . . ?
C14 C6 C7 N1 -179.16(12) . . . . ?
C14 C6 C7 C8 -0.2(2) . . . . ?
C21 C16 C15 O1 -7.24(19) . . . . ?
C21 C16 C15 C14 -179.68(11) . . . . ?
C21 C16 C17 C18 1.6(2) . . . . ?
C9 C8 C7 N1 -122.23(13) . . . . ?
C9 C8 C7 C6 58.83(19) . . . . ?
C9 C8 C13 C12 -2.6(2) . . . . ?
C9 C10 C11 C12 -0.7(2) . . . . ?
C13 C8 C7 N1 54.60(16) . . . . ?
C13 C8 C7 C6 -124.34(14) . . . . ?
C13 C8 C9 C10 1.25(19) . . . . ?
C17 C16 C15 O1 173.33(13) . . . . ?
C17 C16 C15 C14 0.88(18) . . . . ?
C17 C16 C21 C20 -1.8(2) . . . . ?
C4 C3 C2 C1 -0.26(19) . . . . ?
C10 C11 C12 C13 -0.7(2) . . . . ?
C20 C19 C18 C17 -1.9(2) . . . . ?
C18 C19 C20 C21 1.7(2) . . . . ?
C22 C19 C20 C21 -177.97(13) . . . . ?
C22 C19 C18 C17 177.76(13) . . . . ?

_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 1.457
_oxdiff_exptl_absorpt_empirical_full_min 0.841
