# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 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_201910251
_database_code_depnum_ccdc_archive 'CCDC 1980383'
loop_
_audit_author_name
_audit_author_address
'Wenquan Yu'
;Zhengzhou University
China
;
_audit_update_record             
;
2020-01-28 deposited with the CCDC.	2020-04-09 downloaded from the CCDC.
;
_audit_creation_date             2019-10-10
_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        2-chloro-6-(p-tolyl)phenanthridine
_chemical_formula_moiety         'C20 H14 Cl N'
_chemical_formula_sum            'C20 H14 Cl N'
_chemical_formula_weight         303.77
_chemical_melting_point          444-446
_chemical_oxdiff_formula         C20H20O4N1
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'
Cl Cl 0.3639 0.7018 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   5.5878(7)
_cell_length_b                   10.8004(11)
_cell_length_c                   13.7039(12)
_cell_angle_alpha                105.531(8)
_cell_angle_beta                 91.027(9)
_cell_angle_gamma                101.719(10)
_cell_volume                     777.92(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1265
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.4740
_cell_measurement_theta_min      4.3670
_shelx_estimated_absorpt_T_max   0.816
_shelx_estimated_absorpt_T_min   0.677
_exptl_absorpt_coefficient_mu    2.113
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
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    1.297
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             316
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_unetI/netI     0.0411
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5607
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.065
_diffrn_reflns_theta_max         67.065
_diffrn_reflns_theta_min         4.351
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2312
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -62.00  36.00   1.00    1.00    --  -33.50  77.00   0.00   98
  2  ω    -36.00  74.00   1.00    1.00    --   36.54 -19.00 -30.00  110
  3  ω     29.00 102.00   1.00    1.00    --   36.54-142.00 106.00   73
  4  ω     -4.00  77.00   1.00    1.00    --   36.54 -99.00-120.00   81
  5  ω     -4.00  77.00   1.00    1.00    --   36.54 -99.00   0.00   81
  6  ω     18.00 105.00   1.00    1.00    --   36.54  57.00-180.00   87
  7  ω     57.00 111.00   1.00    1.00    --   36.54 178.00-180.00   54
  8  ω      8.00 106.00   1.00    1.00    --   36.54  77.00  30.00   98
  9  ω      8.00 106.00   1.00    1.00    --   36.54  77.00 120.00   98
 10  ω     18.00 105.00   1.00    1.00    --   36.54  57.00 150.00   87
 11  ω    -31.00  31.00   1.00    1.00    --   36.54 -57.00 -90.00   62
 12  ω     61.00  86.00   1.00    1.00    --   36.54 178.00 -30.00   25
 13  ω     37.00 148.00   1.00    2.50    --  108.00 -15.00  60.00  111
 14  ω     37.00 129.00   1.00    2.50    --  108.00 -30.00-120.00   92
 15  ω     40.00 124.00   1.00    2.50    --  108.00 -45.00   0.00   84
 16  ω     38.00  99.00   1.00    2.50    --  108.00 -94.00 150.00   61
 17  ω     46.00 109.00   1.00    2.50    --  108.00 -94.00  30.00   63
 18  ω    111.00 138.00   1.00    2.50    --  108.00 111.00-120.00   27
 19  ω     40.00 108.00   1.00    2.50    --  108.00 -77.00 -60.00   68
 20  ω     79.00 110.00   1.00    2.50    --  108.00 -94.00-180.00   31
 21  ω     39.00 128.00   1.00    2.50    --  108.00 -45.00 120.00   89
 22  ω     89.00 116.00   1.00    2.50    --  108.00 -77.00  30.00   27
 23  ω     88.00 177.00   1.00    2.50    --  108.00  30.00  60.00   89
 24  ω     38.00 109.00   1.00    2.50    --  108.00-111.00 -60.00   71
 25  ω     80.00 107.00   1.00    2.50    --  108.00 -15.00-180.00   27
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1028395000
_diffrn_orient_matrix_UB_12      -0.1277592000
_diffrn_orient_matrix_UB_13      -0.0845308000
_diffrn_orient_matrix_UB_21      -0.0653036000
_diffrn_orient_matrix_UB_22      -0.0741416000
_diffrn_orient_matrix_UB_23      0.0808538000
_diffrn_orient_matrix_UB_31      -0.2547576000
_diffrn_orient_matrix_UB_32      0.0342929000
_diffrn_orient_matrix_UB_33      0.0034053000
_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                1915
_reflns_number_total             2778
_reflns_odcompleteness_completeness 99.82
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.200
_refine_diff_density_min         -0.205
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         2778
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0559
_refine_ls_restrained_S_all      1.015
_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)+(0.1092P)²+0.0003P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1624
_refine_ls_wR_factor_ref         0.1918
_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:
 C1(H1), C3(H3), C4(H4), C9(H9), C10(H10), C11(H11), C12(H12), C15(H15),
 C16(H16), C18(H18), C19(H19)
2.b Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
C1 C 0.3317(5) 0.9959(2) 0.33144(18) 0.0701(7) Uani 1 1 d . . . . .
H1 H 0.2466 0.9922 0.3887 0.084 Uiso 1 1 calc R . . . .
C2 C 0.5587(6) 1.0771(2) 0.34083(19) 0.0744(7) Uani 1 1 d . . . . .
C3 C 0.6915(5) 1.0877(2) 0.2581(2) 0.0704(7) Uani 1 1 d . . . . .
H3 H 0.8455 1.1435 0.2669 0.084 Uiso 1 1 calc R . . . .
C4 C 0.5919(4) 1.0148(2) 0.16344(18) 0.0630(6) Uani 1 1 d . . . . .
H4 H 0.6788 1.0215 0.1072 0.076 Uiso 1 1 calc R . . . .
C5 C 0.3606(4) 0.9298(2) 0.14974(17) 0.0557(6) Uani 1 1 d . . . . .
C6 C 0.2282(4) 0.9181(2) 0.23463(17) 0.0584(6) Uani 1 1 d . . . . .
C7 C -0.0055(4) 0.8255(2) 0.21642(18) 0.0590(6) Uani 1 1 d . . . . .
C8 C -0.0930(4) 0.7567(2) 0.11534(17) 0.0556(6) Uani 1 1 d . . . . .
C9 C -0.3186(4) 0.6658(2) 0.0955(2) 0.0644(6) Uani 1 1 d . . . . .
H9 H -0.3739 0.6201 0.0286 0.077 Uiso 1 1 calc R . . . .
C10 C -0.4592(5) 0.6428(3) 0.1720(2) 0.0761(8) Uani 1 1 d . . . . .
H10 H -0.6086 0.5825 0.1578 0.091 Uiso 1 1 calc R . . . .
C11 C -0.3732(6) 0.7119(3) 0.2720(2) 0.0837(9) Uani 1 1 d . . . . .
H11 H -0.4679 0.6976 0.3246 0.100 Uiso 1 1 calc R . . . .
C12 C -0.1537(5) 0.8000(3) 0.2941(2) 0.0747(7) Uani 1 1 d . . . . .
H12 H -0.1008 0.8439 0.3616 0.090 Uiso 1 1 calc R . . . .
C13 C 0.0574(4) 0.7819(2) 0.03483(17) 0.0528(5) Uani 1 1 d . . . . .
C14 C -0.0299(4) 0.7175(2) -0.07365(17) 0.0529(5) Uani 1 1 d . . . . .
C15 C -0.2290(4) 0.7472(2) -0.11826(19) 0.0637(6) Uani 1 1 d . . . . .
H15 H -0.3171 0.8037 -0.0786 0.076 Uiso 1 1 calc R . . . .
C16 C -0.2968(4) 0.6937(3) -0.22030(19) 0.0674(7) Uani 1 1 d . . . . .
H16 H -0.4287 0.7162 -0.2486 0.081 Uiso 1 1 calc R . . . .
C17 C -0.1743(4) 0.6077(2) -0.28166(18) 0.0655(6) Uani 1 1 d . . . . .
C18 C 0.0196(5) 0.5755(3) -0.23718(19) 0.0693(7) Uani 1 1 d . . . . .
H18 H 0.1027 0.5160 -0.2766 0.083 Uiso 1 1 calc R . . . .
C19 C 0.0917(4) 0.6301(2) -0.13541(19) 0.0637(6) Uani 1 1 d . . . . .
H19 H 0.2246 0.6079 -0.1076 0.076 Uiso 1 1 calc R . . . .
C20 C -0.2498(6) 0.5527(3) -0.3939(2) 0.0962(10) Uani 1 1 d . . . . .
H20A H -0.4235 0.5177 -0.4035 0.144 Uiso 1 1 calc GR . . . .
H20B H -0.1655 0.4839 -0.4227 0.144 Uiso 1 1 calc GR . . . .
H20C H -0.2085 0.6215 -0.4268 0.144 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.6848(2) 1.17170(9) 0.46199(6) 0.1204(5) Uani 1 1 d . . . . .
N1 N 0.2730(3) 0.86166(18) 0.05073(13) 0.0556(5) Uani 1 1 d . . . . .


_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
C1 H1 0.9300 . ?
C1 C2 1.370(4) . ?
C1 C6 1.407(3) . ?
C2 C3 1.383(4) . ?
C2 Cl1 1.748(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.365(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.402(3) . ?
C5 C6 1.410(3) . ?
C5 N1 1.385(3) . ?
C6 C7 1.446(3) . ?
C7 C8 1.410(3) . ?
C7 C12 1.411(3) . ?
C8 C9 1.403(3) . ?
C8 C13 1.448(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.366(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.395(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.364(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.488(3) . ?
C13 N1 1.308(3) . ?
C14 C15 1.393(3) . ?
C14 C19 1.386(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.375(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.378(4) . ?
C17 C18 1.381(4) . ?
C17 C20 1.511(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.378(3) . ?
C19 H19 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 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
C2 C1 H1 120.2 . . ?
C2 C1 C6 119.5(2) . . ?
C6 C1 H1 120.2 . . ?
C1 C2 C3 122.6(2) . . ?
C1 C2 Cl1 118.7(2) . . ?
C3 C2 Cl1 118.7(2) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 C2 118.7(2) . . ?
C4 C3 H3 120.7 . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 121.0(2) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 C6 119.9(2) . . ?
N1 C5 C4 116.8(2) . . ?
N1 C5 C6 123.3(2) . . ?
C1 C6 C5 118.3(2) . . ?
C1 C6 C7 124.1(2) . . ?
C5 C6 C7 117.6(2) . . ?
C8 C7 C6 118.6(2) . . ?
C8 C7 C12 117.5(2) . . ?
C12 C7 C6 123.9(2) . . ?
C7 C8 C13 118.1(2) . . ?
C9 C8 C7 119.8(2) . . ?
C9 C8 C13 122.1(2) . . ?
C8 C9 H9 119.2 . . ?
C10 C9 C8 121.7(3) . . ?
C10 C9 H9 119.2 . . ?
C9 C10 H10 120.8 . . ?
C9 C10 C11 118.5(3) . . ?
C11 C10 H10 120.8 . . ?
C10 C11 H11 119.2 . . ?
C12 C11 C10 121.5(2) . . ?
C12 C11 H11 119.2 . . ?
C7 C12 H12 119.5 . . ?
C11 C12 C7 121.1(3) . . ?
C11 C12 H12 119.5 . . ?
C8 C13 C14 120.8(2) . . ?
N1 C13 C8 123.7(2) . . ?
N1 C13 C14 115.50(19) . . ?
C15 C14 C13 121.5(2) . . ?
C19 C14 C13 121.0(2) . . ?
C19 C14 C15 117.5(2) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 C14 120.7(2) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 119.2 . . ?
C15 C16 C17 121.7(2) . . ?
C17 C16 H16 119.2 . . ?
C16 C17 C18 117.8(2) . . ?
C16 C17 C20 120.5(3) . . ?
C18 C17 C20 121.8(3) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 121.1(2) . . ?
C19 C18 H18 119.5 . . ?
C14 C19 H19 119.4 . . ?
C18 C19 C14 121.3(2) . . ?
C18 C19 H19 119.4 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C13 N1 C5 118.60(19) . . ?

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
C1 C2 C3 C4 0.2(4) . . . . ?
C1 C6 C7 C8 177.8(2) . . . . ?
C1 C6 C7 C12 -1.7(4) . . . . ?
C2 C1 C6 C5 -1.9(4) . . . . ?
C2 C1 C6 C7 177.5(2) . . . . ?
C2 C3 C4 C5 -0.4(4) . . . . ?
C3 C4 C5 C6 -0.5(4) . . . . ?
C3 C4 C5 N1 178.9(2) . . . . ?
C4 C5 C6 C1 1.7(3) . . . . ?
C4 C5 C6 C7 -177.8(2) . . . . ?
C4 C5 N1 C13 -179.73(19) . . . . ?
C5 C6 C7 C8 -2.8(3) . . . . ?
C5 C6 C7 C12 177.7(2) . . . . ?
C6 C1 C2 C3 1.0(4) . . . . ?
C6 C1 C2 Cl1 -179.45(18) . . . . ?
C6 C5 N1 C13 -0.3(3) . . . . ?
C6 C7 C8 C9 179.7(2) . . . . ?
C6 C7 C8 C13 0.4(3) . . . . ?
C6 C7 C12 C11 179.6(2) . . . . ?
C7 C8 C9 C10 0.8(4) . . . . ?
C7 C8 C13 C14 -176.96(18) . . . . ?
C7 C8 C13 N1 2.2(3) . . . . ?
C8 C7 C12 C11 0.0(4) . . . . ?
C8 C9 C10 C11 -0.2(4) . . . . ?
C8 C13 C14 C15 67.0(3) . . . . ?
C8 C13 C14 C19 -116.1(2) . . . . ?
C8 C13 N1 C5 -2.3(3) . . . . ?
C9 C8 C13 C14 3.7(3) . . . . ?
C9 C8 C13 N1 -177.1(2) . . . . ?
C9 C10 C11 C12 -0.5(4) . . . . ?
C10 C11 C12 C7 0.6(4) . . . . ?
C12 C7 C8 C9 -0.7(3) . . . . ?
C12 C7 C8 C13 -180.0(2) . . . . ?
C13 C8 C9 C10 -180.0(2) . . . . ?
C13 C14 C15 C16 175.4(2) . . . . ?
C13 C14 C19 C18 -176.5(2) . . . . ?
C14 C13 N1 C5 176.95(17) . . . . ?
C14 C15 C16 C17 1.1(4) . . . . ?
C15 C14 C19 C18 0.5(3) . . . . ?
C15 C16 C17 C18 0.5(4) . . . . ?
C15 C16 C17 C20 -178.8(2) . . . . ?
C16 C17 C18 C19 -1.6(4) . . . . ?
C17 C18 C19 C14 1.1(4) . . . . ?
C19 C14 C15 C16 -1.6(3) . . . . ?
C20 C17 C18 C19 177.7(2) . . . . ?
Cl1 C2 C3 C4 -179.37(19) . . . . ?
N1 C5 C6 C1 -177.7(2) . . . . ?
N1 C5 C6 C7 2.9(3) . . . . ?
N1 C13 C14 C15 -112.3(2) . . . . ?
N1 C13 C14 C19 64.6(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 1.877
_oxdiff_exptl_absorpt_empirical_full_min 0.739
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane/hexane'
