#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/51/2225190.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_2225190
loop_
_publ_author_name
'Chen, Hui-Li'
'Ma, Qi'
'Wang, Qing-Ming'
_publ_contact_author
;
 Dr Hui-Li Chen
Institute of Molecular Science,
Shanxi University,
Taiyuan, Shanxi 030006,
People's Republic of China
;
_publ_section_title
;Bis{2-[1-(8-hydroxy-2-quinolylmethyl)-1H-benzimidazol-2-yl]quinolin-8-ol}
 toluene solvate
;
_journal_coeditor_code           BV2138
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o671
_journal_page_last               o672
_journal_paper_doi               10.1107/S1600536810004794
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '2C26 H18 N4 O2, C7 H8'
_chemical_formula_moiety         '2(C26 H18 N4 O2), C7 H8'
_chemical_formula_sum            'C29.5 H22 N4 O2'
_chemical_formula_weight         464.51
_chemical_name_systematic
;
Bis{2-[1-(8-hydroxy-2-quinolylmethyl)-1H-benzimidazol-2-yl]quinolin-
8-ol} toluene solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.979(10)
_cell_angle_beta                 90.881(11)
_cell_angle_gamma                100.966(11)
_cell_formula_units_Z            2
_cell_length_a                   8.014(7)
_cell_length_b                   12.669(11)
_cell_length_c                   12.727(11)
_cell_measurement_reflns_used    2466
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.913
_cell_measurement_theta_min      3.033
_cell_volume                     1162.1(18)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL/PC (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0393
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6333
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_T_max  0.9873
_exptl_absorpt_correction_T_min  0.9748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             486
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.396
_refine_diff_density_min         -0.323
_refine_ls_extinction_coef       0.033(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         4077
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0506
_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)+(0.0768P)²+0.2872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1386
_refine_ls_wR_factor_ref         0.1558
_reflns_number_gt                3049
_reflns_number_total             4077
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bv2138.cif
_cod_data_source_block           I
_cod_original_cell_volume        1162.1(17)
_cod_database_code               2225190
_cod_database_fobs_code          2225190
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C C1 0.5707(3) 0.12196(18) -0.05782(17) 0.0455(5) Uani d . 1 . .
C C2 0.7346(3) 0.0952(2) -0.0469(2) 0.0535(6) Uani d . 1 . .
C C3 0.7601(3) -0.0148(2) -0.1092(2) 0.0624(6) Uani d . 1 . .
H H3 0.8668 -0.0316 -0.1027 0.075 Uiso calc R 1 . .
C C4 0.6260(4) -0.1028(2) -0.1830(2) 0.0676(7) Uani d . 1 . .
H H4 0.6453 -0.1773 -0.2248 0.081 Uiso calc R 1 . .
C C5 0.4679(3) -0.0808(2) -0.1944(2) 0.0633(6) Uani d . 1 . .
H H5 0.3807 -0.1402 -0.2435 0.076 Uiso calc R 1 . .
C C6 0.4366(3) 0.03220(19) -0.13169(18) 0.0509(5) Uani d . 1 . .
C C7 0.2767(3) 0.0626(2) -0.13557(19) 0.0556(6) Uani d . 1 . .
H H7 0.1833 0.0059 -0.1805 0.067 Uiso calc R 1 . .
C C8 0.2582(3) 0.17396(19) -0.07426(19) 0.0524(6) Uani d . 1 . .
H H8 0.1532 0.1942 -0.0774 0.063 Uiso calc R 1 . .
C C9 0.4018(2) 0.25868(18) -0.00545(17) 0.0434(5) Uani d . 1 . .
C C10 0.3807(2) 0.37994(17) 0.05742(16) 0.0421(5) Uani d . 1 . .
C C11 0.2623(3) 0.52959(18) 0.12008(18) 0.0462(5) Uani d . 1 . .
C C12 0.1518(3) 0.6075(2) 0.1430(2) 0.0554(6) Uani d . 1 . .
H H12 0.0394 0.5825 0.1100 0.066 Uiso calc R 1 . .
C C13 0.2159(3) 0.7227(2) 0.2162(2) 0.0625(6) Uani d . 1 . .
H H13 0.1452 0.7763 0.2325 0.075 Uiso calc R 1 . .
C C14 0.3845(3) 0.7607(2) 0.2665(2) 0.0652(7) Uani d . 1 . .
H H14 0.4228 0.8390 0.3160 0.078 Uiso calc R 1 . .
C C15 0.4960(3) 0.6855(2) 0.2448(2) 0.0569(6) Uani d . 1 . .
H H15 0.6081 0.7112 0.2783 0.068 Uiso calc R 1 . .
C C16 0.4318(2) 0.56921(18) 0.16998(17) 0.0441(5) Uani d . 1 . .
C C17 0.6860(2) 0.47670(18) 0.15656(18) 0.0437(5) Uani d . 1 . .
H H17A 0.7497 0.5569 0.1811 0.052 Uiso calc R 1 . .
H H17B 0.7314 0.4293 0.0878 0.052 Uiso calc R 1 . .
C C18 0.7154(2) 0.43377(16) 0.24939(16) 0.0411(5) Uani d . 1 . .
C C19 0.5972(3) 0.43317(19) 0.33017(18) 0.0511(5) Uani d . 1 . .
H H19 0.4935 0.4545 0.3249 0.061 Uiso calc R 1 . .
C C20 0.6374(3) 0.4007(2) 0.41619(19) 0.0557(6) Uani d . 1 . .
H H20 0.5605 0.4004 0.4701 0.067 Uiso calc R 1 . .
C C21 0.7938(3) 0.36783(18) 0.42466(17) 0.0481(5) Uani d . 1 . .
C C22 0.8471(3) 0.3341(2) 0.5118(2) 0.0632(6) Uani d . 1 . .
H H22 0.7776 0.3338 0.5695 0.076 Uiso calc R 1 . .
C C23 1.0006(4) 0.3022(2) 0.5104(2) 0.0702(7) Uani d . 1 . .
H H23 1.0346 0.2799 0.5675 0.084 Uiso calc R 1 . .
C C24 1.1081(3) 0.3024(2) 0.4245(2) 0.0680(7) Uani d . 1 . .
H H24 1.2123 0.2804 0.4252 0.082 Uiso calc R 1 . .
C C25 1.0602(3) 0.3348(2) 0.3397(2) 0.0556(6) Uani d . 1 . .
C C26 0.9023(2) 0.36878(17) 0.33817(17) 0.0440(5) Uani d . 1 . .
C C27 0.6666(8) 0.9326(7) 0.5448(6) 0.109(2) Uani d PD 0.50 . .
H H27A 0.6352 0.8484 0.5116 0.163 Uiso calc PR 0.50 . .
H H27B 0.5904 0.9635 0.5112 0.163 Uiso calc PR 0.50 . .
H H27C 0.6590 0.9610 0.6260 0.163 Uiso calc PR 0.50 . .
C C28 0.8398(8) 0.9701(3) 0.5231(4) 0.1311(17) Uani d D 1 . .
C C29 0.8662(8) 0.9652(4) 0.4163(4) 0.151(2) Uani d D 1 . .
H H29 0.7753 0.9409 0.3601 0.181 Uiso calc R 1 . .
C C30 1.0280(8) 0.9965(4) 0.3939(4) 0.141(2) Uani d D 1 . .
H H30 1.0493 0.9953 0.3219 0.169 Uiso calc R 1 . .
N N1 0.5530(2) 0.23373(15) 0.00443(14) 0.0448(4) Uani d . 1 . .
N N2 0.2332(2) 0.41096(15) 0.05066(15) 0.0486(5) Uani d . 1 . .
N N3 0.5069(2) 0.47278(14) 0.12805(14) 0.0426(4) Uani d . 1 . .
N N4 0.8615(2) 0.40046(14) 0.25095(14) 0.0437(4) Uani d . 1 . .
O O1 0.8628(2) 0.17832(16) 0.02683(16) 0.0740(5) Uani d . 1 . .
H H1 0.8293 0.2394 0.0589 0.111 Uiso calc R 1 . .
O O2 1.1662(2) 0.3371(2) 0.25782(18) 0.0811(6) Uani d . 1 . .
H H2 1.1174 0.3512 0.2093 0.122 Uiso calc R 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
N1 C1 C6 . . 123.4(2) ?
N1 C1 C2 . . 117.63(19) ?
C6 C1 C2 . . 119.0(2) ?
O1 C2 C3 . . 120.0(2) ?
O1 C2 C1 . . 120.0(2) ?
C3 C2 C1 . . 120.0(2) ?
C2 C3 C4 . . 120.4(2) ?
C2 C3 H3 . . 119.8 ?
C4 C3 H3 . . 119.8 ?
C5 C4 C3 . . 121.2(2) ?
C5 C4 H4 . . 119.4 ?
C3 C4 H4 . . 119.4 ?
C4 C5 C6 . . 120.1(2) ?
C4 C5 H5 . . 119.9 ?
C6 C5 H5 . . 119.9 ?
C7 C6 C5 . . 124.3(2) ?
C7 C6 C1 . . 116.4(2) ?
C5 C6 C1 . . 119.3(2) ?
C8 C7 C6 . . 120.6(2) ?
C8 C7 H7 . . 119.7 ?
C6 C7 H7 . . 119.7 ?
C7 C8 C9 . . 118.8(2) ?
C7 C8 H8 . . 120.6 ?
C9 C8 H8 . . 120.6 ?
N1 C9 C8 . . 123.0(2) ?
N1 C9 C10 . . 118.97(18) ?
C8 C9 C10 . . 117.98(18) ?
N2 C10 N3 . . 112.54(18) y
N2 C10 C9 . . 122.02(18) ?
N3 C10 C9 . . 125.44(17) ?
N2 C11 C12 . . 129.9(2) ?
N2 C11 C16 . . 109.73(17) ?
C12 C11 C16 . . 120.4(2) ?
C13 C12 C11 . . 117.5(2) ?
C13 C12 H12 . . 121.2 ?
C11 C12 H12 . . 121.2 ?
C12 C13 C14 . . 121.5(2) ?
C12 C13 H13 . . 119.2 ?
C14 C13 H13 . . 119.2 ?
C15 C14 C13 . . 121.9(2) ?
C15 C14 H14 . . 119.0 ?
C13 C14 H14 . . 119.0 ?
C14 C15 C16 . . 116.6(2) ?
C14 C15 H15 . . 121.7 ?
C16 C15 H15 . . 121.7 ?
N3 C16 C15 . . 132.0(2) ?
N3 C16 C11 . . 106.02(18) ?
C15 C16 C11 . . 122.00(19) ?
N3 C17 C18 . . 114.36(16) ?
N3 C17 H17A . . 108.7 ?
C18 C17 H17A . . 108.7 ?
N3 C17 H17B . . 108.7 ?
C18 C17 H17B . . 108.7 ?
H17A C17 H17B . . 107.6 ?
N4 C18 C19 . . 122.82(19) ?
N4 C18 C17 . . 115.06(17) ?
C19 C18 C17 . . 122.09(18) ?
C20 C19 C18 . . 118.8(2) ?
C20 C19 H19 . . 120.6 ?
C18 C19 H19 . . 120.6 ?
C19 C20 C21 . . 121.0(2) ?
C19 C20 H20 . . 119.5 ?
C21 C20 H20 . . 119.5 ?
C20 C21 C26 . . 115.94(19) ?
C20 C21 C22 . . 124.9(2) ?
C26 C21 C22 . . 119.2(2) ?
C23 C22 C21 . . 119.8(2) ?
C23 C22 H22 . . 120.1 ?
C21 C22 H22 . . 120.1 ?
C22 C23 C24 . . 121.2(2) ?
C22 C23 H23 . . 119.4 ?
C24 C23 H23 . . 119.4 ?
C25 C24 C23 . . 120.2(2) ?
C25 C24 H24 . . 119.9 ?
C23 C24 H24 . . 119.9 ?
O2 C25 C24 . . 120.1(2) ?
O2 C25 C26 . . 119.5(2) ?
C24 C25 C26 . . 120.3(2) ?
N4 C26 C25 . . 117.61(19) ?
N4 C26 C21 . . 123.14(19) ?
C25 C26 C21 . . 119.2(2) ?
C28 C27 H27A . . 109.5 ?
C28 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C28 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C29 C28 C30 . 2_776 121.6(5) ?
C29 C28 C27 . . 117.7(6) ?
C30 C28 C27 2_776 . 120.6(6) ?
C30 C29 C28 . . 118.3(5) ?
C30 C29 H29 . . 120.9 ?
C28 C29 H29 . . 120.9 ?
C29 C30 C28 . 2_776 120.1(5) ?
C29 C30 H30 . . 120.0 ?
C28 C30 H30 2_776 . 120.0 ?
C9 N1 C1 . . 117.77(18) y
C10 N2 C11 . . 105.48(17) y
C10 N3 C16 . . 106.21(16) y
C10 N3 C17 . . 129.92(17) y
C16 N3 C17 . . 123.86(16) y
C18 N4 C26 . . 118.16(17) y
C2 O1 H1 . . 109.5 ?
C25 O2 H2 . . 109.5 ?
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
C1 N1 . 1.363(3) ?
C1 C6 . 1.415(3) ?
C1 C2 . 1.435(3) ?
C2 O1 . 1.354(3) ?
C2 C3 . 1.365(3) ?
C3 C4 . 1.406(4) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.365(4) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.414(3) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.411(3) ?
C7 C8 . 1.358(3) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.418(3) ?
C8 H8 . 0.9300 ?
C9 N1 . 1.325(3) ?
C9 C10 . 1.474(3) y
C10 N2 . 1.327(3) y
C10 N3 . 1.381(3) y
C11 N2 . 1.385(3) ?
C11 C12 . 1.400(3) ?
C11 C16 . 1.402(3) ?
C12 C13 . 1.378(4) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.398(4) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.381(3) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.394(3) ?
C15 H15 . 0.9300 ?
C16 N3 . 1.385(3) y
C17 N3 . 1.462(3) y
C17 C18 . 1.513(3) y
C17 H17A . 0.9700 ?
C17 H17B . 0.9700 ?
C18 N4 . 1.320(3) ?
C18 C19 . 1.410(3) ?
C19 C20 . 1.365(3) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.409(3) ?
C20 H20 . 0.9300 ?
C21 C26 . 1.416(3) ?
C21 C22 . 1.421(3) ?
C22 C23 . 1.365(4) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.403(4) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.369(3) ?
C24 H24 . 0.9300 ?
C25 O2 . 1.361(3) ?
C25 C26 . 1.414(3) ?
C26 N4 . 1.374(3) ?
C27 C28 . 1.4463(15) ?
C27 H27A . 0.9600 ?
C27 H27B . 0.9600 ?
C27 H27C . 0.9600 ?
C28 C29 . 1.358(6) ?
C28 C30 2_776 1.365(6) ?
C29 C30 . 1.351(9) ?
C29 H29 . 0.9300 ?
C30 C28 2_776 1.365(6) ?
C30 H30 . 0.9300 ?
O1 H1 . 0.8200 ?
O2 H2 . 0.8200 ?
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
_geom_hbond_publ_flag
O1 H1 N1 . 0.82 2.29 2.745(3) 115.6 y
O1 H1 N4 . 0.82 2.47 3.131(3) 138.6 y
O2 H2 N4 . 0.82 2.27 2.722(3) 115.5 y
O2 H2 N2 1_655 0.82 2.55 3.145(3) 130.8 y
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
N1 C1 C2 O1 . . . . 2.7(3) ?
C6 C1 C2 O1 . . . . -177.24(19) ?
N1 C1 C2 C3 . . . . -178.68(19) ?
C6 C1 C2 C3 . . . . 1.4(3) ?
O1 C2 C3 C4 . . . . 177.8(2) ?
C1 C2 C3 C4 . . . . -0.8(3) ?
C2 C3 C4 C5 . . . . 0.0(4) ?
C3 C4 C5 C6 . . . . 0.2(4) ?
C4 C5 C6 C7 . . . . -178.4(2) ?
C4 C5 C6 C1 . . . . 0.4(3) ?
N1 C1 C6 C7 . . . . -2.3(3) ?
C2 C1 C6 C7 . . . . 177.70(19) ?
N1 C1 C6 C5 . . . . 178.91(19) ?
C2 C1 C6 C5 . . . . -1.1(3) ?
C5 C6 C7 C8 . . . . -178.7(2) ?
C1 C6 C7 C8 . . . . 2.5(3) ?
C6 C7 C8 C9 . . . . -0.7(3) ?
C7 C8 C9 N1 . . . . -1.8(3) ?
C7 C8 C9 C10 . . . . 178.01(19) ?
N1 C9 C10 N2 . . . . 179.53(18) ?
C8 C9 C10 N2 . . . . -0.3(3) ?
N1 C9 C10 N3 . . . . -0.2(3) ?
C8 C9 C10 N3 . . . . 179.92(18) ?
N2 C11 C12 C13 . . . . -179.8(2) ?
C16 C11 C12 C13 . . . . -0.5(3) ?
C11 C12 C13 C14 . . . . -0.3(3) ?
C12 C13 C14 C15 . . . . 0.6(4) ?
C13 C14 C15 C16 . . . . -0.1(4) ?
C14 C15 C16 N3 . . . . 178.5(2) ?
C14 C15 C16 C11 . . . . -0.8(3) ?
N2 C11 C16 N3 . . . . 1.0(2) ?
C12 C11 C16 N3 . . . . -178.36(18) ?
N2 C11 C16 C15 . . . . -179.55(19) ?
C12 C11 C16 C15 . . . . 1.1(3) ?
N3 C17 C18 N4 . . . . 158.92(17) ?
N3 C17 C18 C19 . . . . -23.0(3) ?
N4 C18 C19 C20 . . . . 2.3(3) ?
C17 C18 C19 C20 . . . . -175.59(19) ?
C18 C19 C20 C21 . . . . -0.3(3) ?
C19 C20 C21 C26 . . . . -1.1(3) ?
C19 C20 C21 C22 . . . . 179.3(2) ?
C20 C21 C22 C23 . . . . 179.0(2) ?
C26 C21 C22 C23 . . . . -0.6(3) ?
C21 C22 C23 C24 . . . . 0.3(4) ?
C22 C23 C24 C25 . . . . -0.1(4) ?
C23 C24 C25 O2 . . . . 178.7(2) ?
C23 C24 C25 C26 . . . . 0.2(4) ?
O2 C25 C26 N4 . . . . 1.5(3) ?
C24 C25 C26 N4 . . . . 179.9(2) ?
O2 C25 C26 C21 . . . . -179.1(2) ?
C24 C25 C26 C21 . . . . -0.6(3) ?
C20 C21 C26 N4 . . . . 0.6(3) ?
C22 C21 C26 N4 . . . . -179.78(19) ?
C20 C21 C26 C25 . . . . -178.89(19) ?
C22 C21 C26 C25 . . . . 0.8(3) ?
C30 C28 C29 C30 2_776 . . . -1.2(8) ?
C27 C28 C29 C30 . . . . -178.0(5) ?
C28 C29 C30 C28 . . . 2_776 1.2(8) ?
C8 C9 N1 C1 . . . . 2.2(3) ?
C10 C9 N1 C1 . . . . -177.69(17) ?
C6 C1 N1 C9 . . . . 0.0(3) ?
C2 C1 N1 C9 . . . . 180.00(18) ?
N3 C10 N2 C11 . . . . -0.2(2) ?
C9 C10 N2 C11 . . . . -179.95(17) ?
C12 C11 N2 C10 . . . . 178.8(2) ?
C16 C11 N2 C10 . . . . -0.6(2) ?
N2 C10 N3 C16 . . . . 0.8(2) ?
C9 C10 N3 C16 . . . . -179.41(18) ?
N2 C10 N3 C17 . . . . -178.58(18) ?
C9 C10 N3 C17 . . . . 1.2(3) ?
C15 C16 N3 C10 . . . . 179.6(2) ?
C11 C16 N3 C10 . . . . -1.1(2) ?
C15 C16 N3 C17 . . . . -1.0(3) ?
C11 C16 N3 C17 . . . . 178.35(17) ?
C18 C17 N3 C10 . . . . -81.6(3) ?
C18 C17 N3 C16 . . . . 99.1(2) ?
C19 C18 N4 C26 . . . . -2.8(3) ?
C17 C18 N4 C26 . . . . 175.22(16) ?
C25 C26 N4 C18 . . . . -179.18(18) ?
C21 C26 N4 C18 . . . . 1.4(3) ?
