#------------------------------------------------------------------------------
#$Date: 2021-10-06 18:00:11 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269695 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/33/7243329.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7243329
loop_
_publ_author_name
'Peloquin, Andrew J.'
'McMillen, Colin D.'
'Pennington, William T.'
_publ_section_title
;
 One dimensional halogen bond design: Br⋯N versus I⋯N with
 fluoroarenes
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              6098
_journal_page_last               6106
_journal_paper_doi               10.1039/D1CE00864A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'Br2 C12 F8, 2(C6 H4 N)'
_chemical_formula_sum            'C24 H8 Br2 F8 N2'
_chemical_formula_weight         636.139
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_atom_sites_solution_primary     dual
_audit_creation_date             2021-05-25
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-06-27 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;
_cell_angle_alpha                111.115(2)
_cell_angle_beta                 100.664(2)
_cell_angle_gamma                95.114(2)
_cell_formula_units_Z            2
_cell_length_a                   7.6092(4)
_cell_length_b                   12.2473(7)
_cell_length_c                   12.8900(8)
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    101.0
_cell_measurement_theta_max      28.308
_cell_measurement_theta_min      2.764
_cell_volume                     1085.22(11)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      101.0
_diffrn_measured_fraction_theta_full 0.9985
_diffrn_measured_fraction_theta_max 0.9987
_diffrn_measurement_device_type  'Bruker D8 Quest Photon 100'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_unetI/netI     0.0152
_diffrn_reflns_Laue_measured_fraction_full 0.9985
_diffrn_reflns_Laue_measured_fraction_max 0.9987
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            37287
_diffrn_reflns_point_group_measured_fraction_full 0.9985
_diffrn_reflns_point_group_measured_fraction_max 0.9987
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_min         2.76
_diffrn_source                   'Incoatec I\mS'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.820
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0644 before and 0.0453 after correction.
The Ratio of minimum to maximum transmission is 0.8550.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.947
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             615.623
_exptl_crystal_size_max          0.251
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.164
_exptl_transmission_factor_max   'not measured'
_exptl_transmission_factor_min   'not measured'
_refine_diff_density_max         0.3611
_refine_diff_density_min         -0.3281
_refine_diff_density_rms         0.0685
_refine_ls_d_res_high            0.7900
_refine_ls_d_res_low             7.3690
_refine_ls_goodness_of_fit_ref   1.0713
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    16
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4612
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0713
_refine_ls_R_factor_all          0.0222
_refine_ls_R_factor_gt           0.0182
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0139P)²+0.9595P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0413
_refine_ls_wR_factor_ref         0.0437
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              -9
_reflns_limit_k_max              14
_reflns_limit_k_min              -15
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                4181
_reflns_number_total             4612
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d1ce00864a2.cif
_cod_data_source_block           Br2F8bph_phenaz
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7243307--7243335.cif.
;
_cod_database_code               7243329
_olex2_refinement_description
;
1.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C15(H15), C17(H17), C18(H18), C21(H21), C22(H22), C23(H23), C24(H24)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
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_refinement_flags_posn
Br1 Br -0.19727(2) 0.247183(15) 0.317979(14) 0.01821(5) Uani 1.000000 .
Br2 Br 0.65291(2) 0.776421(15) 1.161774(14) 0.01780(5) Uani 1.000000 .
F1 F 0.18588(16) 0.22499(10) 0.42122(9) 0.0279(3) Uani 1.000000 .
F2 F 0.39231(14) 0.34293(10) 0.63116(9) 0.0244(2) Uani 1.000000 .
F3 F -0.08025(14) 0.55231(9) 0.73600(9) 0.0219(2) Uani 1.000000 .
F4 F -0.28811(14) 0.43414(10) 0.52577(9) 0.0238(2) Uani 1.000000 .
F5 F 0.72382(14) 0.71582(10) 0.92386(9) 0.0224(2) Uani 1.000000 .
F6 F 0.51033(14) 0.58015(10) 0.72058(8) 0.0215(2) Uani 1.000000 .
F7 F 0.07746(14) 0.47249(10) 0.90085(9) 0.0252(2) Uani 1.000000 .
F8 F 0.28630(15) 0.61534(10) 1.10528(9) 0.0267(3) Uani 1.000000 .
C1 C -0.0559(2) 0.32728(15) 0.46766(14) 0.0171(3) Uani 1.000000 .
C2 C 0.1178(3) 0.30594(16) 0.49796(15) 0.0187(4) Uani 1.000000 .
C3 C 0.2246(2) 0.36707(16) 0.60671(15) 0.0179(3) Uani 1.000000 .
C4 C 0.1636(2) 0.45199(15) 0.69043(14) 0.0152(3) Uani 1.000000 .
C5 C -0.0130(2) 0.47090(15) 0.65974(14) 0.0164(3) Uani 1.000000 .
C6 C -0.1207(2) 0.40997(15) 0.55071(15) 0.0166(3) Uani 1.000000 .
C7 C 0.5090(2) 0.67073(15) 1.01924(14) 0.0160(3) Uani 1.000000 .
C8 C 0.5638(2) 0.65715(15) 0.91976(15) 0.0161(3) Uani 1.000000 .
C9 C 0.4535(2) 0.58568(15) 0.81447(14) 0.0157(3) Uani 1.000000 .
C10 C 0.2853(2) 0.52349(15) 0.80403(14) 0.0149(3) Uani 1.000000 .
C11 C 0.2347(2) 0.53445(16) 0.90544(15) 0.0175(3) Uani 1.000000 .
C12 C 0.3431(2) 0.60705(16) 1.01067(14) 0.0181(4) Uani 1.000000 .
N1 N -0.4250(2) 0.10801(13) 0.09463(12) 0.0175(3) Uani 1.000000 .
C13 C -0.5805(2) 0.04204(15) 0.08866(14) 0.0167(3) Uani 1.000000 .
C14 C -0.6727(3) 0.08114(16) 0.17878(15) 0.0207(4) Uani 1.000000 .
H14 H -0.6243(3) 0.15350(16) 0.24262(15) 0.0248(4) Uiso 1.000000 R
C15 C -0.8300(3) 0.01500(17) 0.17351(16) 0.0227(4) Uani 1.000000 .
H15 H -0.8904(3) 0.04163(17) 0.23405(16) 0.0273(5) Uiso 1.000000 R
C16 C -0.3434(2) 0.06751(15) 0.00719(14) 0.0162(3) Uani 1.000000 .
C17 C -0.1782(2) 0.13385(16) 0.00950(15) 0.0202(4) Uani 1.000000 .
H17 H -0.1262(2) 0.20628(16) 0.07250(15) 0.0243(4) Uiso 1.000000 R
C18 C -0.0946(3) 0.09351(17) -0.07858(16) 0.0225(4) Uani 1.000000 .
H18 H 0.0153(3) 0.13838(17) -0.07660(16) 0.0270(5) Uiso 1.000000 R
N2 N 0.8965(2) 0.94084(13) 1.38537(12) 0.0160(3) Uani 1.000000 .
C19 C 0.8341(2) 1.02379(15) 1.46411(14) 0.0151(3) Uani 1.000000 .
C20 C 1.0610(2) 0.91653(15) 1.41975(14) 0.0154(3) Uani 1.000000 .
C21 C 1.1343(2) 0.82990(16) 1.33989(15) 0.0189(4) Uani 1.000000 .
H21 H 1.0675(2) 0.79046(16) 1.26281(15) 0.0226(4) Uiso 1.000000 R
C22 C 1.2996(3) 0.80351(16) 1.37368(15) 0.0206(4) Uani 1.000000 .
H22 H 1.3473(3) 0.74561(16) 1.31977(15) 0.0247(4) Uiso 1.000000 R
C23 C 1.4024(2) 0.86157(16) 1.48904(15) 0.0201(4) Uani 1.000000 .
H23 H 1.5171(2) 0.84129(16) 1.51120(15) 0.0241(4) Uiso 1.000000 R
C24 C 1.3378(2) 0.94549(16) 1.56742(15) 0.0179(3) Uani 1.000000 .
H24 H 1.4080(2) 0.98389(16) 1.64378(15) 0.0215(4) Uiso 1.000000 R
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
F 0.01794 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.277599990368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Br -0.28346 2.55990 17.17890 5.23580 5.63770 3.98510 2.17230 16.57960 0.26090
41.43280 2.95569992065
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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 Br1 120.63(13) . . ?
C6 C1 Br1 121.44(13) . . ?
C6 C1 C2 117.93(15) . . ?
C1 C2 F1 120.30(15) . . ?
C3 C2 F1 118.70(16) . . ?
C3 C2 C1 121.00(16) . . ?
C2 C3 F2 118.40(15) . . ?
C4 C3 F2 119.67(15) . . ?
C4 C3 C2 121.94(16) . . ?
C5 C4 C3 116.58(15) . . ?
C10 C4 C3 121.11(16) . . ?
C10 C4 C5 122.20(15) . . ?
C4 C5 F3 119.78(15) . . ?
C6 C5 F3 118.46(15) . . ?
C6 C5 C4 121.73(16) . . ?
C1 C6 F4 120.33(15) . . ?
C5 C6 F4 118.85(15) . . ?
C5 C6 C1 120.80(16) . . ?
C8 C7 Br2 120.58(13) . . ?
C12 C7 Br2 121.24(13) . . ?
C12 C7 C8 118.15(15) . . ?
C7 C8 F5 120.29(15) . . ?
C9 C8 F5 118.85(15) . . ?
C9 C8 C7 120.84(16) . . ?
C8 C9 F6 118.19(15) . . ?
C10 C9 F6 119.96(15) . . ?
C10 C9 C8 121.82(15) . . ?
C9 C10 C4 121.42(15) . . ?
C11 C10 C4 121.87(15) . . ?
C11 C10 C9 116.69(15) . . ?
C10 C11 F7 119.37(15) . . ?
C12 C11 F7 118.96(15) . . ?
C12 C11 C10 121.67(16) . . ?
C7 C12 F8 120.20(15) . . ?
C11 C12 F8 119.05(15) . . ?
C11 C12 C7 120.75(16) . . ?
C16 N1 C13 117.43(15) . . ?
C14 C13 N1 119.68(16) . . ?
C16 C13 N1 121.33(16) 2_455 . ?
C16 C13 C14 118.98(16) 2_455 . ?
H14 C14 C13 119.95(10) . . ?
C15 C14 C13 120.10(17) . . ?
C15 C14 H14 119.95(11) . . ?
H15 C15 C14 119.54(11) . . ?
C18 C15 C14 120.92(17) 2_455 . ?
C18 C15 H15 119.54(11) 2_455 . ?
C13 C16 N1 121.24(16) 2_455 . ?
C17 C16 N1 119.65(16) . . ?
C17 C16 C13 119.11(16) . 2_455 ?
H17 C17 C16 119.97(10) . . ?
C18 C17 C16 120.06(16) . . ?
C18 C17 H17 119.97(11) . . ?
C17 C18 C15 120.82(17) . 2_455 ?
H18 C18 C15 119.59(11) . 2_455 ?
H18 C18 C17 119.59(11) . . ?
C20 N2 C19 117.07(15) . . ?
C20 C19 N2 121.31(16) 2_778 . ?
C24 C19 N2 119.70(15) 2_778 . ?
C24 C19 C20 119.00(16) 2_778 2_778 ?
C19 C20 N2 121.63(16) 2_778 . ?
C21 C20 N2 119.49(16) . . ?
C21 C20 C19 118.88(16) . 2_778 ?
H21 C21 C20 119.92(10) . . ?
C22 C21 C20 120.16(16) . . ?
C22 C21 H21 119.92(11) . . ?
H22 C22 C21 119.54(11) . . ?
C23 C22 C21 120.93(17) . . ?
C23 C22 H22 119.54(10) . . ?
H23 C23 C22 119.67(10) . . ?
C24 C23 C22 120.65(17) . . ?
C24 C23 H23 119.67(11) . . ?
C23 C24 C19 120.38(16) . 2_778 ?
H24 C24 C19 119.81(10) . 2_778 ?
H24 C24 C23 119.81(11) . . ?
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
Br1 C1 1.8767(17) . ?
Br2 C7 1.8814(16) . ?
F1 C2 1.343(2) . ?
F2 C3 1.342(2) . ?
F3 C5 1.3391(19) . ?
F4 C6 1.341(2) . ?
F5 C8 1.3396(19) . ?
F6 C9 1.3402(19) . ?
F7 C11 1.3379(19) . ?
F8 C12 1.341(2) . ?
C1 C2 1.383(3) . ?
C1 C6 1.385(2) . ?
C2 C3 1.378(2) . ?
C3 C4 1.388(2) . ?
C4 C5 1.393(2) . ?
C4 C10 1.483(2) . ?
C5 C6 1.383(2) . ?
C7 C8 1.379(2) . ?
C7 C12 1.387(2) . ?
C8 C9 1.380(2) . ?
C9 C10 1.388(2) . ?
C10 C11 1.394(2) . ?
C11 C12 1.377(2) . ?
N1 C13 1.345(2) . ?
N1 C16 1.346(2) . ?
C13 C14 1.425(2) . ?
C13 C16 1.437(2) 2_455 ?
C14 H14 0.9500 . ?
C14 C15 1.360(3) . ?
C15 H15 0.9500 . ?
C15 C18 1.423(3) 2_455 ?
C16 C17 1.424(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.362(3) . ?
C18 H18 0.9500 . ?
N2 C19 1.345(2) . ?
N2 C20 1.344(2) . ?
C19 C20 1.441(2) 2_778 ?
C19 C24 1.421(2) 2_778 ?
C20 C21 1.424(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.359(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.427(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.358(3) . ?
C24 H24 0.9500 . ?
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
Br1 C1 C2 F1 -1.84(16) . . . . ?
Br1 C1 C2 C3 177.95(14) . . . . ?
Br1 C1 C6 F4 0.47(16) . . . . ?
Br1 C1 C6 C5 -178.05(13) . . . . ?
Br2 C7 C8 F5 2.54(16) . . . . ?
Br2 C7 C8 C9 -175.76(13) . . . . ?
Br2 C7 C12 F8 -3.41(16) . . . . ?
Br2 C7 C12 C11 176.72(14) . . . . ?
F1 C2 C1 C6 178.75(16) . . . . ?
F1 C2 C3 F2 -0.00(19) . . . . ?
F1 C2 C3 C4 179.96(16) . . . . ?
F2 C3 C2 C1 -179.80(16) . . . . ?
F2 C3 C4 C5 -178.82(16) . . . . ?
F2 C3 C4 C10 4.8(2) . . . . ?
F3 C5 C4 C3 -179.41(16) . . . . ?
F3 C5 C4 C10 -3.10(19) . . . . ?
F3 C5 C6 F4 -0.38(18) . . . . ?
F3 C5 C6 C1 178.17(15) . . . . ?
F4 C6 C1 C2 179.88(16) . . . . ?
F4 C6 C5 C4 -178.51(15) . . . . ?
F5 C8 C7 C12 -179.28(16) . . . . ?
F5 C8 C9 F6 -1.34(18) . . . . ?
F5 C8 C9 C10 -179.27(15) . . . . ?
F6 C9 C8 C7 176.99(15) . . . . ?
F6 C9 C10 C4 -1.19(19) . . . . ?
F6 C9 C10 C11 -179.40(16) . . . . ?
F7 C11 C10 C4 4.7(2) . . . . ?
F7 C11 C10 C9 -177.12(16) . . . . ?
F7 C11 C12 F8 -1.32(19) . . . . ?
F7 C11 C12 C7 178.56(16) . . . . ?
F8 C12 C7 C8 178.42(16) . . . . ?
F8 C12 C11 C10 179.09(16) . . . . ?
C1 C2 C3 C4 0.2(2) . . . . ?
C1 C6 C5 C4 0.0(2) . . . . ?
C2 C3 C4 C5 1.2(2) . . . . ?
C2 C3 C4 C10 -175.14(17) . . . . ?
C3 C4 C5 C6 -1.31(19) . . . . ?
C3 C4 C10 C9 52.63(19) . . . . ?
C3 C4 C10 C11 -129.25(18) . . . . ?
C4 C10 C9 C8 176.71(16) . . . . ?
C4 C10 C11 C12 -175.73(17) . . . . ?
C7 C8 C9 C10 -0.9(2) . . . . ?
C7 C12 C11 C10 -1.0(2) . . . . ?
C8 C9 C10 C11 -1.5(2) . . . . ?
C9 C10 C11 C12 2.5(2) . . . . ?
N1 C13 C14 C15 -179.98(17) . . . . ?
N1 C13 C16 N1 -0.09(17) . . 2_455 2_455 ?
N1 C13 C16 C17 -179.82(17) . . 2_455 2_455 ?
N1 C16 C13 N1 0.09(17) . . 2_455 2_455 ?
N1 C16 C13 C14 -179.76(17) . . 2_455 2_455 ?
N1 C16 C17 C18 179.97(17) . . . . ?
C13 C14 C15 C18 -0.2(2) . . . 2_455 ?
C13 C16 C17 C18 0.2(2) 2_455 . . . ?
C14 C15 C18 C17 -0.0(2) . . 2_455 2_455 ?
C15 C18 C17 C16 -0.2(2) 2_455 . . . ?
N2 C19 C20 N2 0.23(16) . . 2_778 2_778 ?
N2 C19 C20 C21 -179.70(16) . . 2_778 2_778 ?
N2 C19 C24 C23 -179.71(16) . . 2_778 2_778 ?
N2 C20 C19 N2 -0.23(16) . . 2_778 2_778 ?
N2 C20 C19 C24 179.15(16) . . 2_778 . ?
N2 C20 C21 C22 -179.32(16) . . . . ?
C19 C20 C21 C22 0.75(19) 2_778 . . . ?
C19 C24 C23 C22 0.5(2) 2_778 . . . ?
C20 C21 C22 C23 0.0(2) . . . . ?
C21 C22 C23 C24 -0.7(2) . . . . ?
