#------------------------------------------------------------------------------
#$Date: 2017-10-13 11:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/22/51/2225127.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_2225127
loop_
_publ_author_name
'Archana, R.'
'Anbazhagan, R.'
'Sankaran, K. R.'
'Thiruvalluvar, A.'
'Butcher, R. J.'
_publ_section_title
;
 1-Diphenylmethylene-2-(9H-fluoren-9-ylidene)hydrazine
;
_journal_coeditor_code           TK2612
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o345
_journal_paper_doi               10.1107/S160053681000070X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C26 H18 N2'
_chemical_formula_moiety         'C26 H18 N2'
_chemical_formula_structural     'C26 H18 N2'
_chemical_formula_sum            'C26 H18 N2'
_chemical_formula_weight         358.42
_chemical_melting_point          377
_chemical_name_common            hydrazine
_chemical_name_systematic
;
1-Diphenylmethylene-2-(9H-fluoren-9-ylidene)hydrazine
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 92.8740(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.8362(3)
_cell_length_b                   13.1432(2)
_cell_length_c                   12.4642(2)
_cell_measurement_reflns_used    4987
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      73.8931
_cell_measurement_theta_min      5.1161
_cell_volume                     3736.31(10)
_computing_cell_refinement       'CrysAlis Pro (Oxford Diffraction, 2009)'
_computing_data_collection       'CrysAlis Pro (Oxford Diffraction, 2009)'
_computing_data_reduction        'CrysAlis Pro (Oxford Diffraction, 2009)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 10.5081
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type
'Oxford Xcalibur diffractometer with a Ruby Gemini detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_av_sigmaI/netI    0.0198
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7177
_diffrn_reflns_theta_full        67.50
_diffrn_reflns_theta_max         74.07
_diffrn_reflns_theta_min         5.20
_exptl_absorpt_coefficient_mu    0.577
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95503
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis Pro; Oxford Diffraction, 2009)'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.231
_refine_diff_density_min         -0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3682
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0563P)²+1.6279P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0981
_refine_ls_wR_factor_ref         0.1022
_reflns_number_gt                3147
_reflns_number_total             3682
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tk2612.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2225127
_cod_database_fobs_code          2225127
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+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_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
N N1 0.35481(4) 0.16268(8) 0.34487(8) 0.0276(3) Uani d . 1.000
N N2 0.30117(4) 0.20980(8) 0.32203(8) 0.0266(3) Uani d . 1.000
C C1 0.48097(6) 0.08981(10) 0.38410(10) 0.0325(4) Uani d . 1.000
C C2 0.54135(6) 0.07751(12) 0.40371(11) 0.0381(4) Uani d . 1.000
C C3 0.57819(6) 0.16072(12) 0.41540(11) 0.0385(4) Uani d . 1.000
C C4 0.55662(6) 0.25969(11) 0.40685(10) 0.0329(4) Uani d . 1.000
C C4A 0.49686(5) 0.27237(10) 0.38678(9) 0.0264(3) Uani d . 1.000
C C4B 0.46148(5) 0.36564(10) 0.37429(9) 0.0252(3) Uani d . 1.000
C C5 0.47889(5) 0.46657(10) 0.37629(9) 0.0291(4) Uani d . 1.000
C C6 0.43594(6) 0.54174(10) 0.36409(10) 0.0309(4) Uani d . 1.000
C C7 0.37714(6) 0.51540(10) 0.35090(9) 0.0295(4) Uani d . 1.000
C C8 0.35919(5) 0.41379(10) 0.34822(9) 0.0262(3) Uani d . 1.000
C C8A 0.40189(5) 0.33819(9) 0.35879(9) 0.0238(3) Uani d . 1.000
C C9 0.39839(5) 0.22522(9) 0.35779(9) 0.0247(3) Uani d . 1.000
C C9A 0.45920(5) 0.18833(10) 0.37629(9) 0.0266(3) Uani d . 1.000
C C10 0.25572(5) 0.16399(9) 0.35694(9) 0.0225(3) Uani d . 1.000
C C11 0.25793(5) 0.07200(8) 0.42731(9) 0.0215(3) Uani d . 1.000
C C12 0.22316(5) -0.01253(9) 0.39994(9) 0.0259(3) Uani d . 1.000
C C13 0.22468(5) -0.09829(9) 0.46475(10) 0.0281(3) Uani d . 1.000
C C14 0.25979(5) -0.09989(9) 0.55906(10) 0.0277(3) Uani d . 1.000
C C15 0.29376(5) -0.01569(9) 0.58763(9) 0.0264(3) Uani d . 1.000
C C16 0.29369(5) 0.06937(9) 0.52151(9) 0.0233(3) Uani d . 1.000
C C21 0.19789(5) 0.20994(9) 0.32457(9) 0.0226(3) Uani d . 1.000
C C22 0.19408(5) 0.28377(9) 0.24323(9) 0.0257(3) Uani d . 1.000
C C23 0.14141(6) 0.33068(10) 0.21489(10) 0.0319(4) Uani d . 1.000
C C24 0.09125(6) 0.30600(11) 0.26812(11) 0.0348(4) Uani d . 1.000
C C25 0.09424(5) 0.23372(10) 0.34938(10) 0.0307(4) Uani d . 1.000
C C26 0.14706(5) 0.18576(9) 0.37725(9) 0.0251(3) Uani d . 1.000
H H1 0.45565 0.03265 0.37637 0.0390 Uiso calc R 1.000
H H2 0.55735 0.01088 0.40909 0.0457 Uiso calc R 1.000
H H3 0.61900 0.15017 0.42955 0.0462 Uiso calc R 1.000
H H4 0.58209 0.31666 0.41454 0.0395 Uiso calc R 1.000
H H5 0.51916 0.48422 0.38577 0.0350 Uiso calc R 1.000
H H6 0.44700 0.61143 0.36480 0.0370 Uiso calc R 1.000
H H7 0.34848 0.56765 0.34354 0.0355 Uiso calc R 1.000
H H8 0.31883 0.39663 0.33940 0.0315 Uiso calc R 1.000
H H12 0.19833 -0.01119 0.33649 0.0310 Uiso calc R 1.000
H H13 0.20167 -0.15608 0.44465 0.0337 Uiso calc R 1.000
H H14 0.26053 -0.15842 0.60383 0.0332 Uiso calc R 1.000
H H15 0.31719 -0.01624 0.65280 0.0317 Uiso calc R 1.000
H H16 0.31802 0.12588 0.54040 0.0279 Uiso calc R 1.000
H H22 0.22823 0.30178 0.20708 0.0308 Uiso calc R 1.000
H H23 0.13947 0.37987 0.15898 0.0382 Uiso calc R 1.000
H H24 0.05507 0.33849 0.24892 0.0417 Uiso calc R 1.000
H H25 0.06007 0.21698 0.38608 0.0369 Uiso calc R 1.000
H H26 0.14866 0.13604 0.43264 0.0301 Uiso calc R 1.000
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
N N 0.0311 0.0180 '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'
C C 0.0181 0.0091 '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_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N2 N1 C9 . . . 114.01(10) no
N1 N2 C10 . . . 115.95(10) no
C2 C1 C9A . . . 117.82(12) no
C1 C2 C3 . . . 121.10(14) no
C2 C3 C4 . . . 121.29(13) no
C3 C4 C4A . . . 117.88(13) no
C4 C4A C4B . . . 130.53(12) no
C4 C4A C9A . . . 121.08(12) no
C4B C4A C9A . . . 108.38(10) no
C4A C4B C5 . . . 129.81(11) no
C4A C4B C8A . . . 108.77(11) no
C5 C4B C8A . . . 121.41(11) no
C4B C5 C6 . . . 118.48(11) no
C5 C6 C7 . . . 120.45(12) no
C6 C7 C8 . . . 121.47(12) no
C7 C8 C8A . . . 118.44(11) no
C4B C8A C8 . . . 119.72(11) no
C4B C8A C9 . . . 107.90(10) no
C8 C8A C9 . . . 132.38(11) no
N1 C9 C8A . . . 132.51(11) no
N1 C9 C9A . . . 121.43(11) no
C8A C9 C9A . . . 106.06(10) no
C1 C9A C4A . . . 120.82(11) no
C1 C9A C9 . . . 130.32(12) no
C4A C9A C9 . . . 108.86(11) no
N2 C10 C11 . . . 124.77(10) no
N2 C10 C21 . . . 115.82(10) no
C11 C10 C21 . . . 119.40(10) no
C10 C11 C12 . . . 119.88(10) no
C10 C11 C16 . . . 121.00(10) no
C12 C11 C16 . . . 119.11(10) no
C11 C12 C13 . . . 120.45(10) no
C12 C13 C14 . . . 120.12(11) no
C13 C14 C15 . . . 119.77(11) no
C14 C15 C16 . . . 120.38(11) no
C11 C16 C15 . . . 120.13(11) no
C10 C21 C22 . . . 119.89(10) no
C10 C21 C26 . . . 121.75(10) no
C22 C21 C26 . . . 118.27(10) no
C21 C22 C23 . . . 121.00(11) no
C22 C23 C24 . . . 120.09(12) no
C23 C24 C25 . . . 119.76(12) no
C24 C25 C26 . . . 120.22(11) no
C21 C26 C25 . . . 120.67(11) no
C2 C1 H1 . . . 121.00 no
C9A C1 H1 . . . 121.00 no
C1 C2 H2 . . . 119.00 no
C3 C2 H2 . . . 119.00 no
C2 C3 H3 . . . 119.00 no
C4 C3 H3 . . . 119.00 no
C3 C4 H4 . . . 121.00 no
C4A C4 H4 . . . 121.00 no
C4B C5 H5 . . . 121.00 no
C6 C5 H5 . . . 121.00 no
C5 C6 H6 . . . 120.00 no
C7 C6 H6 . . . 120.00 no
C6 C7 H7 . . . 119.00 no
C8 C7 H7 . . . 119.00 no
C7 C8 H8 . . . 121.00 no
C8A C8 H8 . . . 121.00 no
C11 C12 H12 . . . 120.00 no
C13 C12 H12 . . . 120.00 no
C12 C13 H13 . . . 120.00 no
C14 C13 H13 . . . 120.00 no
C13 C14 H14 . . . 120.00 no
C15 C14 H14 . . . 120.00 no
C14 C15 H15 . . . 120.00 no
C16 C15 H15 . . . 120.00 no
C11 C16 H16 . . . 120.00 no
C15 C16 H16 . . . 120.00 no
C21 C22 H22 . . . 120.00 no
C23 C22 H22 . . . 119.00 no
C22 C23 H23 . . . 120.00 no
C24 C23 H23 . . . 120.00 no
C23 C24 H24 . . . 120.00 no
C25 C24 H24 . . . 120.00 no
C24 C25 H25 . . . 120.00 no
C26 C25 H25 . . . 120.00 no
C21 C26 H26 . . . 120.00 no
C25 C26 H26 . . . 120.00 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
N1 N2 . . 1.3893(13) no
N1 C9 . . 1.2946(15) no
N2 C10 . . 1.2940(15) no
C1 C2 . . 1.3976(19) no
C1 C9A . . 1.3887(18) no
C2 C3 . . 1.383(2) no
C3 C4 . . 1.393(2) no
C4 C4A . . 1.3851(18) no
C4A C4B . . 1.4721(18) no
C4A C9A . . 1.4020(18) no
C4B C5 . . 1.3847(18) no
C4B C8A . . 1.4117(16) no
C5 C6 . . 1.3951(18) no
C6 C7 . . 1.3884(19) no
C7 C8 . . 1.3969(19) no
C8 C8A . . 1.3938(17) no
C8A C9 . . 1.4870(17) no
C9 C9A . . 1.4780(16) no
C10 C11 . . 1.4931(16) no
C10 C21 . . 1.4893(16) no
C11 C12 . . 1.3979(16) no
C11 C16 . . 1.3966(16) no
C12 C13 . . 1.3862(17) no
C13 C14 . . 1.3895(17) no
C14 C15 . . 1.3877(17) no
C15 C16 . . 1.3889(16) no
C21 C22 . . 1.4029(16) no
C21 C26 . . 1.3986(16) no
C22 C23 . . 1.3817(18) no
C23 C24 . . 1.3906(19) no
C24 C25 . . 1.3878(19) no
C25 C26 . . 1.3896(17) no
C1 H1 . . 0.9500 no
C2 H2 . . 0.9500 no
C3 H3 . . 0.9500 no
C4 H4 . . 0.9500 no
C5 H5 . . 0.9500 no
C6 H6 . . 0.9500 no
C7 H7 . . 0.9500 no
C8 H8 . . 0.9500 no
C12 H12 . . 0.9500 no
C13 H13 . . 0.9500 no
C14 H14 . . 0.9500 no
C15 H15 . . 0.9500 no
C16 H16 . . 0.9500 no
C22 H22 . . 0.9500 no
C23 H23 . . 0.9500 no
C24 H24 . . 0.9500 no
C25 H25 . . 0.9500 no
C26 H26 . . 0.9500 no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
N1 C16 2.9339(15) . . no
N2 C8 3.0012(16) . . no
N1 H1 2.8800 . . no
N1 H16 2.6600 . . no
N2 H8 2.5000 . . no
N2 H16 2.9400 . . no
N2 H22 2.4600 . . no
N2 H14 2.9100 . 4_554 no
C1 C1 3.4960(18) . 2_655 no
C1 C2 3.4966(19) . 3_656 no
C2 C1 3.4966(19) . 3_656 no
C3 C9 3.5752(18) . 2_655 no
C3 C15 3.4924(18) . 3_656 no
C4 C9 3.5328(17) . 2_655 no
C4A C4A 3.4199(16) . 2_655 no
C5 C5 3.3384(16) . 2_655 no
C5 C5 3.3036(16) . 3_666 no
C7 C14 3.5528(18) . 7_556 no
C7 C13 3.5226(17) . 7_556 no
C8 N2 3.0012(16) . . no
C8A C26 3.5415(16) . 7_556 no
C9 C4 3.5328(17) . 2_655 no
C9 C3 3.5752(18) . 2_655 no
C12 C26 3.1373(17) . . no
C13 C7 3.5226(17) . 7_556 no
C14 C7 3.5528(18) . 7_556 no
C15 C3 3.4924(18) . 3_656 no
C16 N1 2.9339(15) . . no
C16 C22 3.5100(16) . 7_556 no
C16 C21 3.4776(16) . 7_556 no
C21 C16 3.4776(16) . 7_556 no
C22 C16 3.5100(16) . 7_556 no
C26 C8A 3.5415(16) . 7_556 no
C26 C12 3.1373(17) . . no
C1 H2 3.0600 . 3_656 no
C2 H1 3.1000 . 3_656 no
C4 H5 3.0800 . . no
C5 H4 3.0900 . . no
C5 H5 3.0300 . 3_666 no
C7 H12 2.8500 . 6_555 no
C8 H26 2.8200 . 7_556 no
C8 H12 2.7700 . 6_555 no
C8A H26 2.9200 . 7_556 no
C11 H26 2.6400 . . no
C12 H26 2.6300 . . no
C12 H22 3.0200 . 6_545 no
C13 H22 2.7700 . 6_545 no
C13 H7 3.0100 . 7_556 no
C14 H7 2.8400 . 7_556 no
C14 H3 2.8400 . 3_656 no
C15 H3 2.6800 . 3_656 no
C21 H12 2.9100 . . no
C21 H7 2.9600 . 6_545 no
C21 H16 2.7700 . 7_556 no
C22 H14 2.8800 . 4_554 no
C22 H16 2.9700 . 7_556 no
C23 H15 3.0700 . 7_556 no
C25 H16 3.0100 . 7_556 no
C26 H12 2.9000 . . no
C26 H16 2.7800 . 7_556 no
H1 N1 2.8800 . . no
H1 C2 3.1000 . 3_656 no
H2 C1 3.0600 . 3_656 no
H3 C14 2.8400 . 3_656 no
H3 C15 2.6800 . 3_656 no
H3 H15 2.5300 . 3_656 no
H4 C5 3.0900 . . no
H5 C4 3.0800 . . no
H5 C5 3.0300 . 3_666 no
H7 C21 2.9600 . 6_555 no
H7 C13 3.0100 . 7_556 no
H7 C14 2.8400 . 7_556 no
H8 N2 2.5000 . . no
H8 H12 2.5200 . 6_555 no
H12 C21 2.9100 . . no
H12 C26 2.9000 . . no
H12 H26 2.5700 . . no
H12 C7 2.8500 . 6_545 no
H12 C8 2.7700 . 6_545 no
H12 H8 2.5200 . 6_545 no
H13 H22 2.6000 . 6_545 no
H14 N2 2.9100 . 4_555 no
H14 C22 2.8800 . 4_555 no
H14 H22 2.4200 . 4_555 no
H15 H3 2.5300 . 3_656 no
H15 C23 3.0700 . 7_556 no
H16 N1 2.6600 . . no
H16 N2 2.9400 . . no
H16 C21 2.7700 . 7_556 no
H16 C22 2.9700 . 7_556 no
H16 C25 3.0100 . 7_556 no
H16 C26 2.7800 . 7_556 no
H22 N2 2.4600 . . no
H22 H14 2.4200 . 4_554 no
H22 C12 3.0200 . 6_555 no
H22 C13 2.7700 . 6_555 no
H22 H13 2.6000 . 6_555 no
H24 H24 2.5200 . 2_555 no
H26 C11 2.6400 . . no
H26 C12 2.6300 . . no
H26 H12 2.5700 . . no
H26 C8 2.8200 . 7_556 no
H26 C8A 2.9200 . 7_556 no
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
C9 N1 N2 C10 . . . . -148.47(11) no
N2 N1 C9 C8A . . . . 3.86(18) no
N2 N1 C9 C9A . . . . -176.38(10) no
N1 N2 C10 C11 . . . . 6.19(17) no
N1 N2 C10 C21 . . . . -175.08(10) no
C9A C1 C2 C3 . . . . 0.26(19) no
C2 C1 C9A C4A . . . . 0.60(18) no
C2 C1 C9A C9 . . . . -179.09(12) no
C1 C2 C3 C4 . . . . -0.8(2) no
C2 C3 C4 C4A . . . . 0.35(19) no
C3 C4 C4A C4B . . . . 179.63(12) no
C3 C4 C4A C9A . . . . 0.52(18) no
C4 C4A C4B C5 . . . . 2.1(2) no
C4 C4A C4B C8A . . . . -177.76(12) no
C9A C4A C4B C5 . . . . -178.73(12) no
C9A C4A C4B C8A . . . . 1.44(13) no
C4 C4A C9A C1 . . . . -1.01(18) no
C4 C4A C9A C9 . . . . 178.74(11) no
C4B C4A C9A C1 . . . . 179.70(11) no
C4B C4A C9A C9 . . . . -0.55(13) no
C4A C4B C5 C6 . . . . -178.91(11) no
C8A C4B C5 C6 . . . . 0.90(17) no
C4A C4B C8A C8 . . . . 178.01(10) no
C4A C4B C8A C9 . . . . -1.72(13) no
C5 C4B C8A C8 . . . . -1.84(17) no
C5 C4B C8A C9 . . . . 178.43(10) no
C4B C5 C6 C7 . . . . 0.37(17) no
C5 C6 C7 C8 . . . . -0.71(18) no
C6 C7 C8 C8A . . . . -0.22(17) no
C7 C8 C8A C4B . . . . 1.46(16) no
C7 C8 C8A C9 . . . . -178.89(11) no
C4B C8A C9 N1 . . . . -178.85(12) no
C4B C8A C9 C9A . . . . 1.37(12) no
C8 C8A C9 N1 . . . . 1.5(2) no
C8 C8A C9 C9A . . . . -178.31(12) no
N1 C9 C9A C1 . . . . -0.58(19) no
N1 C9 C9A C4A . . . . 179.70(11) no
C8A C9 C9A C1 . . . . 179.24(12) no
C8A C9 C9A C4A . . . . -0.49(12) no
N2 C10 C11 C12 . . . . -130.13(13) no
N2 C10 C11 C16 . . . . 50.85(17) no
C21 C10 C11 C12 . . . . 51.19(15) no
C21 C10 C11 C16 . . . . -127.84(12) no
N2 C10 C21 C22 . . . . 13.12(16) no
N2 C10 C21 C26 . . . . -163.26(11) no
C11 C10 C21 C22 . . . . -168.08(10) no
C11 C10 C21 C26 . . . . 15.54(17) no
C10 C11 C12 C13 . . . . -179.81(11) no
C16 C11 C12 C13 . . . . -0.77(17) no
C10 C11 C16 C15 . . . . 177.99(11) no
C12 C11 C16 C15 . . . . -1.05(17) no
C11 C12 C13 C14 . . . . 1.60(18) no
C12 C13 C14 C15 . . . . -0.61(18) no
C13 C14 C15 C16 . . . . -1.21(17) no
C14 C15 C16 C11 . . . . 2.04(17) no
C10 C21 C22 C23 . . . . -177.22(11) no
C26 C21 C22 C23 . . . . -0.72(17) no
C10 C21 C26 C25 . . . . 176.52(11) no
C22 C21 C26 C25 . . . . 0.08(16) no
C21 C22 C23 C24 . . . . 0.85(19) no
C22 C23 C24 C25 . . . . -0.3(2) no
C23 C24 C25 C26 . . . . -0.3(2) no
C24 C25 C26 C21 . . . . 0.42(19) no
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 26000972
