#------------------------------------------------------------------------------
#$Date: 2017-10-13 11:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/22/56/2225645.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_2225645
loop_
_publ_author_name
'Black, Robert S.'
'Billing, David G.'
'Bartyzel, Agata'
'Cukrowska, Ewa'
_publ_section_title
;
 2,2'-[(Propane-1,3-diyldinitrilo)bis(phenylmethylidyne)]diphenol
;
_journal_coeditor_code           LH5012
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1002
_journal_page_last               o1003
_journal_paper_doi               10.1107/S1600536810011189
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C29 H26 N2 O2'
_chemical_formula_moiety         'C29 H26 N2 O2'
_chemical_formula_sum            'C29 H26 N2 O2'
_chemical_formula_weight         434.52
_chemical_name_systematic
;
2,2'-[(Propane-1,3-diyldinitrilo)bis(phenylmethylidyne)]diphenol
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 119.086(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.226(2)
_cell_length_b                   8.2303(9)
_cell_length_c                   18.642(2)
_cell_measurement_reflns_used    21350
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.00
_cell_measurement_theta_min      2.05
_cell_volume                     2443.8(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1999)'
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        'SAINT-Plus (Bruker, 1999)'
_computing_molecular_graphics
;
PLATON (Spek, 2009)
;
_computing_publication_material
;
WinGX (Farrugia, 1999) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXSL97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker SMART 1K CCD area-detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0707
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21350
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.181
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.226
_refine_diff_density_min         -0.361
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         5896
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_gt           0.055
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0897P)²+0.2258P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1725
_reflns_number_gt                3749
_reflns_number_total             5896
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh5012.cif
_cod_data_source_block           I
_cod_original_cell_volume        2443.7(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2225645
_cod_database_fobs_code          2225645
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C C1 0.17087(13) 0.1655(3) 0.08228(11) 0.0718(5) Uani d . 1 . .
H H1 0.1926 0.2672 0.0813 0.086 Uiso calc R 1 . .
C C2 0.15625(16) 0.0517(3) 0.02117(14) 0.0940(7) Uani d . 1 . .
H H2 0.1689 0.0776 -0.0201 0.113 Uiso calc R 1 . .
C C3 0.12367(14) -0.0961(3) 0.02162(16) 0.0947(8) Uani d . 1 . .
H H3 0.1142 -0.1708 -0.0194 0.114 Uiso calc R 1 . .
C C4 0.10480(16) -0.1362(3) 0.08146(16) 0.0960(7) Uani d . 1 . .
H H4 0.0823 -0.2377 0.0812 0.115 Uiso calc R 1 . .
C C5 0.11925(13) -0.0247(3) 0.14328(13) 0.0759(5) Uani d . 1 . .
H H5 0.1062 -0.0519 0.1842 0.091 Uiso calc R 1 . .
C C6 0.15300(9) 0.12641(19) 0.14400(9) 0.0501(4) Uani d . 1 . .
C C7 0.17057(8) 0.24201(18) 0.21320(9) 0.0457(3) Uani d . 1 . .
C C8 0.10782(9) 0.36732(18) 0.20194(9) 0.0476(3) Uani d . 1 . .
C C9 0.03699(10) 0.3944(2) 0.12497(11) 0.0612(4) Uani d . 1 . .
H H9 0.0291 0.3308 0.0805 0.073 Uiso calc R 1 . .
C C10 -0.02150(12) 0.5138(3) 0.11365(13) 0.0775(6) Uani d . 1 . .
H H10 -0.0675 0.5312 0.062 0.093 Uiso calc R 1 . .
C C11 -0.01072(13) 0.6066(3) 0.17994(16) 0.0826(6) Uani d . 1 . .
H H11 -0.05 0.6861 0.1726 0.099 Uiso calc R 1 . .
C C12 0.05729(13) 0.5829(2) 0.25660(14) 0.0735(5) Uani d . 1 . .
H H12 0.0632 0.6461 0.3004 0.088 Uiso calc R 1 . .
C C13 0.11810(10) 0.4642(2) 0.26941(10) 0.0548(4) Uani d . 1 . .
C C14 0.30624(10) 0.1168(2) 0.29798(11) 0.0637(4) Uani d . 1 . .
H H14A 0.3103 0.1037 0.2483 0.076 Uiso calc R 1 . .
H H14B 0.2935 0.0117 0.3128 0.076 Uiso calc R 1 . .
C C15 0.38907(10) 0.1788(2) 0.36662(10) 0.0590(4) Uani d . 1 . .
H H15A 0.385 0.1869 0.4165 0.071 Uiso calc R 1 . .
H H15B 0.3992 0.287 0.3528 0.071 Uiso calc R 1 . .
C C16 0.46364(10) 0.0702(2) 0.38294(10) 0.0606(4) Uani d . 1 . .
H H16A 0.5125 0.1034 0.4336 0.073 Uiso calc R 1 . .
H H16B 0.4508 -0.0416 0.3891 0.073 Uiso calc R 1 . .
C C17 0.66693(10) 0.2305(2) 0.45511(10) 0.0602(4) Uani d . 1 . .
H H17 0.6442 0.3306 0.4316 0.072 Uiso calc R 1 . .
C C18 0.73422(12) 0.2233(3) 0.53470(12) 0.0729(5) Uani d . 1 . .
H H18 0.756 0.3185 0.5644 0.087 Uiso calc R 1 . .
C C19 0.76854(12) 0.0763(3) 0.56945(12) 0.0743(5) Uani d . 1 . .
H H19 0.813 0.0721 0.6229 0.089 Uiso calc R 1 . .
C C20 0.73734(12) -0.0646(3) 0.52550(13) 0.0747(5) Uani d . 1 . .
H H20 0.7618 -0.1637 0.5489 0.09 Uiso calc R 1 . .
C C21 0.66949(11) -0.0604(2) 0.44627(11) 0.0608(4) Uani d . 1 . .
H H21 0.6481 -0.1564 0.4172 0.073 Uiso calc R 1 . .
C C22 0.63373(9) 0.08832(18) 0.41069(9) 0.0469(3) Uani d . 1 . .
C C23 0.55780(9) 0.09263(18) 0.32620(9) 0.0496(4) Uani d . 1 . .
C C24 0.57020(11) 0.10567(19) 0.25341(10) 0.0539(4) Uani d . 1 . .
C C25 0.65069(12) 0.1279(2) 0.26229(12) 0.0676(5) Uani d . 1 . .
H H25 0.6968 0.134 0.3147 0.081 Uiso calc R 1 . .
C C26 0.66269(15) 0.1409(3) 0.19441(15) 0.0808(6) Uani d . 1 . .
H H26 0.7163 0.156 0.2012 0.097 Uiso calc R 1 . .
C C27 0.59361(18) 0.1312(3) 0.11627(15) 0.0861(7) Uani d . 1 . .
H H27 0.6013 0.1387 0.0706 0.103 Uiso calc R 1 . .
C C28 0.51399(16) 0.1106(2) 0.10547(12) 0.0769(6) Uani d . 1 . .
H H28 0.4686 0.1045 0.0527 0.092 Uiso calc R 1 . .
C C29 0.50056(12) 0.09859(19) 0.17301(11) 0.0597(4) Uani d . 1 . .
N N1 0.23864(8) 0.23289(17) 0.28316(8) 0.0562(3) Uani d . 1 . .
N N2 0.48206(8) 0.08218(17) 0.31467(8) 0.0564(3) Uani d . 1 . .
O O1 0.18408(8) 0.44387(17) 0.34460(7) 0.0709(4) Uani d . 1 . .
H H1A 0.2167 0.3781 0.3424 0.106 Uiso calc R 1 . .
O O2 0.42130(8) 0.08050(17) 0.15964(7) 0.0715(4) Uani d . 1 . .
H H2A 0.4218 0.074 0.2038 0.107 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 0 '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 0.006 '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
C6 C1 C2 . . 119.74(19) ?
C6 C1 H1 . . 120.1 ?
C2 C1 H1 . . 120.1 ?
C3 C2 C1 . . 120.5(2) ?
C3 C2 H2 . . 119.8 ?
C1 C2 H2 . . 119.8 ?
C2 C3 C4 . . 120.63(19) ?
C2 C3 H3 . . 119.7 ?
C4 C3 H3 . . 119.7 ?
C3 C4 C5 . . 119.9(2) ?
C3 C4 H4 . . 120.1 ?
C5 C4 H4 . . 120.1 ?
C6 C5 C4 . . 120.23(19) ?
C6 C5 H5 . . 119.9 ?
C4 C5 H5 . . 119.9 ?
C1 C6 C5 . . 119.07(16) ?
C1 C6 C7 . . 121.98(15) ?
C5 C6 C7 . . 118.94(15) ?
N1 C7 C8 . . 118.72(13) ?
N1 C7 C6 . . 121.82(13) ?
C8 C7 C6 . . 119.45(12) ?
C9 C8 C13 . . 118.36(14) ?
C9 C8 C7 . . 121.28(13) ?
C13 C8 C7 . . 120.37(13) ?
C10 C9 C8 . . 121.58(17) ?
C10 C9 H9 . . 119.2 ?
C8 C9 H9 . . 119.2 ?
C11 C10 C9 . . 119.33(19) ?
C11 C10 H10 . . 120.3 ?
C9 C10 H10 . . 120.3 ?
C12 C11 C10 . . 120.99(17) ?
C12 C11 H11 . . 119.5 ?
C10 C11 H11 . . 119.5 ?
C11 C12 C13 . . 120.75(17) ?
C11 C12 H12 . . 119.6 ?
C13 C12 H12 . . 119.6 ?
O1 C13 C12 . . 119.70(15) ?
O1 C13 C8 . . 121.33(14) ?
C12 C13 C8 . . 118.98(16) ?
N1 C14 C15 . . 109.80(14) ?
N1 C14 H14A . . 109.7 ?
C15 C14 H14A . . 109.7 ?
N1 C14 H14B . . 109.7 ?
C15 C14 H14B . . 109.7 ?
H14A C14 H14B . . 108.2 ?
C14 C15 C16 . . 113.32(14) ?
C14 C15 H15A . . 108.9 ?
C16 C15 H15A . . 108.9 ?
C14 C15 H15B . . 108.9 ?
C16 C15 H15B . . 108.9 ?
H15A C15 H15B . . 107.7 ?
N2 C16 C15 . . 110.13(13) ?
N2 C16 H16A . . 109.6 ?
C15 C16 H16A . . 109.6 ?
N2 C16 H16B . . 109.6 ?
C15 C16 H16B . . 109.6 ?
H16A C16 H16B . . 108.1 ?
C22 C17 C18 . . 120.06(16) ?
C22 C17 H17 . . 120 ?
C18 C17 H17 . . 120 ?
C19 C18 C17 . . 120.31(18) ?
C19 C18 H18 . . 119.8 ?
C17 C18 H18 . . 119.8 ?
C18 C19 C20 . . 120.11(17) ?
C18 C19 H19 . . 119.9 ?
C20 C19 H19 . . 119.9 ?
C19 C20 C21 . . 120.55(17) ?
C19 C20 H20 . . 119.7 ?
C21 C20 H20 . . 119.7 ?
C20 C21 C22 . . 119.74(16) ?
C20 C21 H21 . . 120.1 ?
C22 C21 H21 . . 120.1 ?
C17 C22 C21 . . 119.22(15) ?
C17 C22 C23 . . 120.95(13) ?
C21 C22 C23 . . 119.78(13) ?
N2 C23 C24 . . 118.54(14) ?
N2 C23 C22 . . 122.36(14) ?
C24 C23 C22 . . 119.09(13) ?
C25 C24 C29 . . 118.44(16) ?
C25 C24 C23 . . 121.04(15) ?
C29 C24 C23 . . 120.51(15) ?
C26 C25 C24 . . 121.34(19) ?
C26 C25 H25 . . 119.3 ?
C24 C25 H25 . . 119.3 ?
C27 C26 C25 . . 119.15(19) ?
C27 C26 H26 . . 120.4 ?
C25 C26 H26 . . 120.4 ?
C28 C27 C26 . . 120.96(18) ?
C28 C27 H27 . . 119.5 ?
C26 C27 H27 . . 119.5 ?
C27 C28 C29 . . 120.7(2) ?
C27 C28 H28 . . 119.6 ?
C29 C28 H28 . . 119.6 ?
O2 C29 C28 . . 118.80(17) ?
O2 C29 C24 . . 121.83(15) ?
C28 C29 C24 . . 119.37(18) ?
C7 N1 C14 . . 122.06(13) ?
C23 N2 C16 . . 122.40(13) ?
C13 O1 H1A . . 109.5 ?
C29 O2 H2A . . 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 C6 . 1.378(2) ?
C1 C2 . 1.396(3) ?
C1 H1 . 0.93 ?
C2 C3 . 1.356(3) ?
C2 H2 . 0.93 ?
C3 C4 . 1.358(3) ?
C3 H3 . 0.93 ?
C4 C5 . 1.394(3) ?
C4 H4 . 0.93 ?
C5 C6 . 1.385(2) ?
C5 H5 . 0.93 ?
C6 C7 . 1.507(2) ?
C7 N1 . 1.2934(19) ?
C7 C8 . 1.477(2) ?
C8 C9 . 1.405(2) ?
C8 C13 . 1.422(2) ?
C9 C10 . 1.389(3) ?
C9 H9 . 0.93 ?
C10 C11 . 1.383(3) ?
C10 H10 . 0.93 ?
C11 C12 . 1.376(3) ?
C11 H11 . 0.93 ?
C12 C13 . 1.408(2) ?
C12 H12 . 0.93 ?
C13 O1 . 1.342(2) ?
C14 N1 . 1.475(2) ?
C14 C15 . 1.516(2) ?
C14 H14A . 0.97 ?
C14 H14B . 0.97 ?
C15 C16 . 1.528(2) ?
C15 H15A . 0.97 ?
C15 H15B . 0.97 ?
C16 N2 . 1.469(2) ?
C16 H16A . 0.97 ?
C16 H16B . 0.97 ?
C17 C22 . 1.391(2) ?
C17 C18 . 1.393(3) ?
C17 H17 . 0.93 ?
C18 C19 . 1.371(3) ?
C18 H18 . 0.93 ?
C19 C20 . 1.374(3) ?
C19 H19 . 0.93 ?
C20 C21 . 1.392(3) ?
C20 H20 . 0.93 ?
C21 C22 . 1.394(2) ?
C21 H21 . 0.93 ?
C22 C23 . 1.509(2) ?
C23 N2 . 1.293(2) ?
C23 C24 . 1.484(2) ?
C24 C25 . 1.406(2) ?
C24 C29 . 1.418(2) ?
C25 C26 . 1.389(3) ?
C25 H25 . 0.93 ?
C26 C27 . 1.389(3) ?
C26 H26 . 0.93 ?
C27 C28 . 1.375(3) ?
C27 H27 . 0.93 ?
C28 C29 . 1.398(3) ?
C28 H28 . 0.93 ?
C29 O2 . 1.349(2) ?
O1 H1A . 0.82 ?
O2 H2A . 0.82 ?
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 H1A N1 . 0.82 1.80 2.5344(17) 148 yes
O2 H2A N2 . 0.82 1.81 2.5431(18) 148 yes
C17 H17 O2 2_655 0.93 2.56 3.481(2) 168 yes
C18 H18 O1 3_666 0.93 2.47 3.395(3) 174 yes
C21 H21 O2 2_645 0.93 2.56 3.492(2) 175 yes
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
C6 C1 C2 C3 . . . . 0.8(4) ?
C1 C2 C3 C4 . . . . -0.1(4) ?
C2 C3 C4 C5 . . . . -0.2(4) ?
C3 C4 C5 C6 . . . . -0.2(4) ?
C2 C1 C6 C5 . . . . -1.2(3) ?
C2 C1 C6 C7 . . . . 177.65(19) ?
C4 C5 C6 C1 . . . . 0.9(3) ?
C4 C5 C6 C7 . . . . -177.97(19) ?
C1 C6 C7 N1 . . . . -96.1(2) ?
C5 C6 C7 N1 . . . . 82.8(2) n
C1 C6 C7 C8 . . . . 85.27(19) ?
C5 C6 C7 C8 . . . . -95.88(19) ?
N1 C7 C8 C9 . . . . 173.25(15) n
C6 C7 C8 C9 . . . . -8.1(2) ?
N1 C7 C8 C13 . . . . -6.6(2) ?
C6 C7 C8 C13 . . . . 172.08(13) ?
C13 C8 C9 C10 . . . . 1.0(3) ?
C7 C8 C9 C10 . . . . -178.90(17) ?
C8 C9 C10 C11 . . . . -1.2(3) ?
C9 C10 C11 C12 . . . . 0.5(3) ?
C10 C11 C12 C13 . . . . 0.4(3) ?
C11 C12 C13 O1 . . . . 179.67(18) ?
C11 C12 C13 C8 . . . . -0.6(3) ?
C9 C8 C13 O1 . . . . 179.63(15) ?
C7 C8 C13 O1 . . . . -0.5(2) ?
C9 C8 C13 C12 . . . . -0.1(2) ?
C7 C8 C13 C12 . . . . 179.80(15) ?
N1 C14 C15 C16 . . . . -176.82(14) ?
C14 C15 C16 N2 . . . . 70.2(2) ?
C22 C17 C18 C19 . . . . 0.5(3) ?
C17 C18 C19 C20 . . . . 0.8(3) ?
C18 C19 C20 C21 . . . . -1.6(3) ?
C19 C20 C21 C22 . . . . 1.0(3) ?
C18 C17 C22 C21 . . . . -1.1(2) ?
C18 C17 C22 C23 . . . . 176.55(14) ?
C20 C21 C22 C17 . . . . 0.3(2) ?
C20 C21 C22 C23 . . . . -177.36(15) ?
C17 C22 C23 N2 . . . . -90.01(19) ?
C21 C22 C23 N2 . . . . 87.61(19) n
C17 C22 C23 C24 . . . . 91.38(18) ?
C21 C22 C23 C24 . . . . -91.00(18) ?
N2 C23 C24 C25 . . . . 175.86(15) n
C22 C23 C24 C25 . . . . -5.5(2) ?
N2 C23 C24 C29 . . . . -3.1(2) ?
C22 C23 C24 C29 . . . . 175.57(13) ?
C29 C24 C25 C26 . . . . -0.7(3) ?
C23 C24 C25 C26 . . . . -179.70(16) ?
C24 C25 C26 C27 . . . . -0.2(3) ?
C25 C26 C27 C28 . . . . 0.7(3) ?
C26 C27 C28 C29 . . . . -0.1(3) ?
C27 C28 C29 O2 . . . . 179.16(17) ?
C27 C28 C29 C24 . . . . -0.9(3) ?
C25 C24 C29 O2 . . . . -178.77(16) ?
C23 C24 C29 O2 . . . . 0.2(2) ?
C25 C24 C29 C28 . . . . 1.2(2) ?
C23 C24 C29 C28 . . . . -179.77(15) ?
C8 C7 N1 C14 . . . . -176.84(14) ?
C6 C7 N1 C14 . . . . 4.5(2) ?
C15 C14 N1 C7 . . . . 155.47(15) n
C24 C23 N2 C16 . . . . -179.47(14) ?
C22 C23 N2 C16 . . . . 1.9(2) ?
C15 C16 N2 C23 . . . . 137.49(16) n
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 24744768
