#------------------------------------------------------------------------------
#$Date: 2017-10-13 11:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/22/51/2225168.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2225168
loop_
_publ_author_name
'Wang, Gui-Yu'
'Qin, Da-Bin'
'Guo, Li-Hui'
'Luo, Jie-Wei'
_publ_section_title
;
 N,N'-Bis(4-nitrophenyl)biphenyl-2,2'-dicarboxamide
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o644
_journal_paper_doi               10.1107/S1600536810005283
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C26 H18 N4 O6'
_chemical_formula_moiety         'C26 H18 N4 O6'
_chemical_formula_sum            'C26 H18 N4 O6'
_chemical_formula_weight         482.44
_chemical_name_systematic
;
N,N'-Bis(4-nitrophenyl)biphenyl-2,2'-dicarboxamide
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.324(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.568(3)
_cell_length_b                   12.003(3)
_cell_length_c                   14.858(4)
_cell_measurement_reflns_used    5737
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.7
_cell_volume                     2231.7(10)
_computing_cell_refinement       'CrystalClear  (Rigaku/MSC, 2004)'
_computing_data_collection       'CrystalClear  (Rigaku/MSC, 2004)'
_computing_data_reduction        'CrystalClear  (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'XP (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure    (Rigaku/MSC, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'Rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            11020
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.105
_exptl_absorpt_correction_T_max  0.9814
_exptl_absorpt_correction_T_min  0.9774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku/MSC, 2004)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.197
_refine_diff_density_min         -0.265
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4108
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0639P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.0984
_reflns_number_gt                3412
_reflns_number_total             4108
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt5169.cif
_cod_data_source_block           I
_cod_original_cell_volume        2231.8(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2225168
_cod_database_fobs_code          2225168
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N N1 0.22874(9) 0.61297(10) -0.24831(8) 0.0245(3) Uani d . 1 . .
N N2 0.17963(9) 0.37120(10) 0.06868(8) 0.0191(3) Uani d D 1 . .
N N3 0.39547(9) 0.03271(10) 0.15619(8) 0.0209(3) Uani d D 1 . .
N N4 0.45085(10) -0.31187(10) -0.09135(8) 0.0268(3) Uani d . 1 . .
O O1 0.19449(8) 0.70898(9) -0.25307(8) 0.0328(3) Uani d . 1 . .
O O2 0.26451(9) 0.56407(9) -0.31202(7) 0.0331(3) Uani d . 1 . .
O O3 0.30986(7) 0.23718(8) 0.07673(6) 0.0258(2) Uani d . 1 . .
O O4 0.44656(8) -0.04883(8) 0.29288(7) 0.0261(2) Uani d . 1 . .
O O5 0.48585(9) -0.40159(9) -0.06211(8) 0.0390(3) Uani d . 1 . .
O O6 0.42693(9) -0.29307(9) -0.17211(7) 0.0350(3) Uani d . 1 . .
C C1 0.22503(10) 0.55285(11) -0.16268(9) 0.0197(3) Uani d . 1 . .
C C2 0.17265(11) 0.60088(12) -0.09468(10) 0.0242(3) Uani d . 1 . .
H H2 0.1444 0.6741 -0.1013 0.029 Uiso calc R 1 . .
C C3 0.16220(11) 0.54058(12) -0.01700(10) 0.0228(3) Uani d . 1 . .
H H3 0.1261 0.5724 0.0302 0.027 Uiso calc R 1 . .
C C4 0.20437(10) 0.43306(11) -0.00715(9) 0.0176(3) Uani d . 1 . .
C C5 0.26065(10) 0.38784(11) -0.07520(9) 0.0187(3) Uani d . 1 . .
H H5 0.2923 0.3162 -0.0677 0.022 Uiso calc R 1 . .
C C6 0.27002(10) 0.44780(11) -0.15348(10) 0.0202(3) Uani d . 1 . .
H H6 0.3071 0.4171 -0.2006 0.024 Uiso calc R 1 . .
C C7 0.22510(10) 0.27388(11) 0.10011(9) 0.0192(3) Uani d . 1 . .
C C8 0.16061(11) 0.20871(11) 0.16179(9) 0.0196(3) Uani d . 1 . .
C C9 0.05533(11) 0.18147(12) 0.13161(10) 0.0228(3) Uani d . 1 . .
H H9 0.0232 0.2130 0.0771 0.027 Uiso calc R 1 . .
C C10 -0.00279(11) 0.10879(12) 0.18054(10) 0.0250(3) Uani d . 1 . .
H H10 -0.0746 0.0910 0.1598 0.030 Uiso calc R 1 . .
C C11 0.04420(11) 0.06229(12) 0.25960(10) 0.0257(3) Uani d . 1 . .
H H11 0.0055 0.0105 0.2923 0.031 Uiso calc R 1 . .
C C12 0.14757(11) 0.09124(12) 0.29113(10) 0.0228(3) Uani d . 1 . .
H H12 0.1785 0.0602 0.3463 0.027 Uiso calc R 1 . .
C C13 0.20747(11) 0.16517(11) 0.24363(9) 0.0198(3) Uani d . 1 . .
C C14 0.31259(10) 0.20675(12) 0.28613(9) 0.0199(3) Uani d . 1 . .
C C15 0.31442(12) 0.31004(12) 0.32959(10) 0.0270(3) Uani d . 1 . .
H H15 0.2511 0.3536 0.3266 0.032 Uiso calc R 1 . .
C C16 0.40666(13) 0.35024(14) 0.37692(10) 0.0308(4) Uani d . 1 . .
H H16 0.4061 0.4206 0.4062 0.037 Uiso calc R 1 . .
C C17 0.49948(12) 0.28782(13) 0.38149(10) 0.0287(4) Uani d . 1 . .
H H17 0.5631 0.3153 0.4134 0.034 Uiso calc R 1 . .
C C18 0.49917(11) 0.18540(13) 0.33941(9) 0.0255(3) Uani d . 1 . .
H H18 0.5627 0.1422 0.3430 0.031 Uiso calc R 1 . .
C C19 0.40649(11) 0.14455(11) 0.29155(9) 0.0199(3) Uani d . 1 . .
C C20 0.41647(10) 0.03335(12) 0.24765(9) 0.0203(3) Uani d . 1 . .
C C21 0.40998(10) -0.05654(11) 0.09698(9) 0.0195(3) Uani d . 1 . .
C C22 0.46411(10) -0.15411(12) 0.12407(10) 0.0226(3) Uani d . 1 . .
H H22 0.4922 -0.1633 0.1852 0.027 Uiso calc R 1 . .
C C23 0.47664(11) -0.23714(12) 0.06188(10) 0.0235(3) Uani d . 1 . .
H H23 0.5132 -0.3039 0.0799 0.028 Uiso calc R 1 . .
C C24 0.43563(11) -0.22264(12) -0.02687(9) 0.0224(3) Uani d . 1 . .
C C25 0.38144(11) -0.12659(12) -0.05546(10) 0.0247(3) Uani d . 1 . .
H H25 0.3538 -0.1181 -0.1168 0.030 Uiso calc R 1 . .
C C26 0.36826(11) -0.04339(12) 0.00675(9) 0.0226(3) Uani d . 1 . .
H H26 0.3309 0.0228 -0.0116 0.027 Uiso calc R 1 . .
H H2A 0.1284(10) 0.3995(13) 0.1007(10) 0.030(4) Uiso d D 1 . .
H H3A 0.3673(12) 0.0956(10) 0.1315(10) 0.032(4) Uiso d D 1 . .
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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 N1 O2 . . 123.52(12) ?
O1 N1 C1 . . 118.14(12) ?
O2 N1 C1 . . 118.33(12) ?
C7 N2 C4 . . 127.52(11) ?
C7 N2 H2A . . 116.1(10) ?
C4 N2 H2A . . 116.4(10) ?
C20 N3 C21 . . 127.15(12) ?
C20 N3 H3A . . 115.9(11) ?
C21 N3 H3A . . 116.9(11) ?
O5 N4 O6 . . 123.58(13) ?
O5 N4 C24 . . 118.39(12) ?
O6 N4 C24 . . 118.03(13) ?
C2 C1 C6 . . 121.73(13) ?
C2 C1 N1 . . 118.98(12) ?
C6 C1 N1 . . 119.24(12) ?
C3 C2 C1 . . 118.81(13) ?
C3 C2 H2 . . 120.6 ?
C1 C2 H2 . . 120.6 ?
C2 C3 C4 . . 120.51(13) ?
C2 C3 H3 . . 119.7 ?
C4 C3 H3 . . 119.7 ?
C5 C4 C3 . . 119.71(12) ?
C5 C4 N2 . . 122.60(12) ?
C3 C4 N2 . . 117.45(12) ?
C6 C5 C4 . . 119.70(13) ?
C6 C5 H5 . . 120.1 ?
C4 C5 H5 . . 120.1 ?
C5 C6 C1 . . 119.46(13) ?
C5 C6 H6 . . 120.3 ?
C1 C6 H6 . . 120.3 ?
O3 C7 N2 . . 123.74(12) ?
O3 C7 C8 . . 121.10(12) ?
N2 C7 C8 . . 115.04(11) ?
C9 C8 C13 . . 120.04(12) ?
C9 C8 C7 . . 118.43(12) ?
C13 C8 C7 . . 121.16(12) ?
C10 C9 C8 . . 120.59(14) ?
C10 C9 H9 . . 119.7 ?
C8 C9 H9 . . 119.7 ?
C11 C10 C9 . . 119.69(13) ?
C11 C10 H10 . . 120.2 ?
C9 C10 H10 . . 120.2 ?
C10 C11 C12 . . 119.98(13) ?
C10 C11 H11 . . 120.0 ?
C12 C11 H11 . . 120.0 ?
C11 C12 C13 . . 121.44(14) ?
C11 C12 H12 . . 119.3 ?
C13 C12 H12 . . 119.3 ?
C12 C13 C8 . . 118.19(13) ?
C12 C13 C14 . . 119.67(12) ?
C8 C13 C14 . . 121.67(12) ?
C19 C14 C15 . . 118.14(13) ?
C19 C14 C13 . . 123.78(13) ?
C15 C14 C13 . . 117.85(12) ?
C16 C15 C14 . . 121.38(14) ?
C16 C15 H15 . . 119.3 ?
C14 C15 H15 . . 119.3 ?
C17 C16 C15 . . 119.90(15) ?
C17 C16 H16 . . 120.0 ?
C15 C16 H16 . . 120.0 ?
C18 C17 C16 . . 119.60(14) ?
C18 C17 H17 . . 120.2 ?
C16 C17 H17 . . 120.2 ?
C17 C18 C19 . . 120.74(14) ?
C17 C18 H18 . . 119.6 ?
C19 C18 H18 . . 119.6 ?
C14 C19 C18 . . 120.24(13) ?
C14 C19 C20 . . 123.93(13) ?
C18 C19 C20 . . 115.83(12) ?
O4 C20 N3 . . 124.15(13) ?
O4 C20 C19 . . 120.66(12) ?
N3 C20 C19 . . 115.11(12) ?
C22 C21 C26 . . 119.97(13) ?
C22 C21 N3 . . 123.10(13) ?
C26 C21 N3 . . 116.93(12) ?
C23 C22 C21 . . 119.78(13) ?
C23 C22 H22 . . 120.1 ?
C21 C22 H22 . . 120.1 ?
C22 C23 C24 . . 119.55(13) ?
C22 C23 H23 . . 120.2 ?
C24 C23 H23 . . 120.2 ?
C23 C24 C25 . . 121.78(14) ?
C23 C24 N4 . . 118.26(13) ?
C25 C24 N4 . . 119.95(13) ?
C26 C25 C24 . . 118.85(13) ?
C26 C25 H25 . . 120.6 ?
C24 C25 H25 . . 120.6 ?
C25 C26 C21 . . 120.06(13) ?
C25 C26 H26 . . 120.0 ?
C21 C26 H26 . . 120.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
N1 O1 . 1.2299(16) ?
N1 O2 . 1.2337(16) ?
N1 C1 . 1.4672(18) ?
N2 C7 . 1.3636(18) ?
N2 C4 . 1.4080(17) ?
N2 H2A . 0.902(9) ?
N3 C20 . 1.3601(18) ?
N3 C21 . 1.4088(18) ?
N3 H3A . 0.898(9) ?
N4 O5 . 1.2273(17) ?
N4 O6 . 1.2306(16) ?
N4 C24 . 1.4613(19) ?
O3 C7 . 1.2322(16) ?
O4 C20 . 1.2330(17) ?
C1 C2 . 1.3821(19) ?
C1 C6 . 1.3835(19) ?
C2 C3 . 1.379(2) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.3977(19) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.3964(18) ?
C5 C6 . 1.3820(19) ?
C5 H5 . 0.9500 ?
C6 H6 . 0.9500 ?
C7 C8 . 1.4988(18) ?
C8 C9 . 1.396(2) ?
C8 C13 . 1.4021(19) ?
C9 C10 . 1.3862(19) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.383(2) ?
C10 H10 . 0.9500 ?
C11 C12 . 1.384(2) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.3966(19) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.4962(19) ?
C14 C19 . 1.3925(19) ?
C14 C15 . 1.397(2) ?
C15 C16 . 1.386(2) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.383(2) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.379(2) ?
C17 H17 . 0.9500 ?
C18 C19 . 1.396(2) ?
C18 H18 . 0.9500 ?
C19 C20 . 1.496(2) ?
C21 C22 . 1.3948(19) ?
C21 C26 . 1.402(2) ?
C22 C23 . 1.378(2) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.382(2) ?
C23 H23 . 0.9500 ?
C24 C25 . 1.386(2) ?
C25 C26 . 1.381(2) ?
C25 H25 . 0.9500 ?
C26 H26 . 0.9500 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N2 H2A O4 2_555 0.902(14) 2.012(14) 2.8763(17) 160.1(13)
N3 H3A O3 . 0.898(13) 1.991(13) 2.8878(17) 178.0(14)
C5 H5 O3 . 0.95 2.34 2.9137(18) 119
C6 H6 O1 2_544 0.95 2.59 3.2340(19) 125
C22 H22 O4 . 0.95 2.22 2.8353(19) 121
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 N1 C1 C2 . . . . 7.31(19) ?
O2 N1 C1 C2 . . . . -171.63(12) ?
O1 N1 C1 C6 . . . . -175.39(12) ?
O2 N1 C1 C6 . . . . 5.67(18) ?
C6 C1 C2 C3 . . . . -2.2(2) ?
N1 C1 C2 C3 . . . . 175.07(12) ?
C1 C2 C3 C4 . . . . 0.3(2) ?
C2 C3 C4 C5 . . . . 2.2(2) ?
C2 C3 C4 N2 . . . . -172.40(13) ?
C7 N2 C4 C5 . . . . 17.4(2) ?
C7 N2 C4 C3 . . . . -168.16(13) ?
C3 C4 C5 C6 . . . . -2.92(19) ?
N2 C4 C5 C6 . . . . 171.38(12) ?
C4 C5 C6 C1 . . . . 1.14(19) ?
C2 C1 C6 C5 . . . . 1.4(2) ?
N1 C1 C6 C5 . . . . -175.80(12) ?
C4 N2 C7 O3 . . . . 15.2(2) ?
C4 N2 C7 C8 . . . . -160.85(12) ?
O3 C7 C8 C9 . . . . -121.93(15) ?
N2 C7 C8 C9 . . . . 54.26(17) ?
O3 C7 C8 C13 . . . . 51.05(19) ?
N2 C7 C8 C13 . . . . -132.75(13) ?
C13 C8 C9 C10 . . . . -1.9(2) ?
C7 C8 C9 C10 . . . . 171.13(13) ?
C8 C9 C10 C11 . . . . -0.4(2) ?
C9 C10 C11 C12 . . . . 2.2(2) ?
C10 C11 C12 C13 . . . . -1.5(2) ?
C11 C12 C13 C8 . . . . -0.9(2) ?
C11 C12 C13 C14 . . . . 171.37(12) ?
C9 C8 C13 C12 . . . . 2.56(19) ?
C7 C8 C13 C12 . . . . -170.31(12) ?
C9 C8 C13 C14 . . . . -169.51(12) ?
C7 C8 C13 C14 . . . . 17.62(19) ?
C12 C13 C14 C19 . . . . 77.90(17) ?
C8 C13 C14 C19 . . . . -110.15(15) ?
C12 C13 C14 C15 . . . . -96.39(16) ?
C8 C13 C14 C15 . . . . 75.56(17) ?
C19 C14 C15 C16 . . . . 0.0(2) ?
C13 C14 C15 C16 . . . . 174.64(13) ?
C14 C15 C16 C17 . . . . 0.2(2) ?
C15 C16 C17 C18 . . . . -0.5(2) ?
C16 C17 C18 C19 . . . . 0.6(2) ?
C15 C14 C19 C18 . . . . 0.05(19) ?
C13 C14 C19 C18 . . . . -174.22(12) ?
C15 C14 C19 C20 . . . . -179.36(12) ?
C13 C14 C19 C20 . . . . 6.4(2) ?
C17 C18 C19 C14 . . . . -0.4(2) ?
C17 C18 C19 C20 . . . . 179.09(12) ?
C21 N3 C20 O4 . . . . -4.3(2) ?
C21 N3 C20 C19 . . . . 172.44(12) ?
C14 C19 C20 O4 . . . . -123.24(15) ?
C18 C19 C20 O4 . . . . 57.33(17) ?
C14 C19 C20 N3 . . . . 59.93(17) ?
C18 C19 C20 N3 . . . . -119.51(13) ?
C20 N3 C21 C22 . . . . -9.9(2) ?
C20 N3 C21 C26 . . . . 170.91(12) ?
C26 C21 C22 C23 . . . . 0.2(2) ?
N3 C21 C22 C23 . . . . -178.94(12) ?
C21 C22 C23 C24 . . . . 0.2(2) ?
C22 C23 C24 C25 . . . . -0.3(2) ?
C22 C23 C24 N4 . . . . 179.58(12) ?
O5 N4 C24 C23 . . . . 9.98(19) ?
O6 N4 C24 C23 . . . . -170.63(12) ?
O5 N4 C24 C25 . . . . -170.15(13) ?
O6 N4 C24 C25 . . . . 9.23(19) ?
C23 C24 C25 C26 . . . . 0.0(2) ?
N4 C24 C25 C26 . . . . -179.89(12) ?
C24 C25 C26 C21 . . . . 0.4(2) ?
C22 C21 C26 C25 . . . . -0.5(2) ?
N3 C21 C26 C25 . . . . 178.68(12) ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 24744497
