#------------------------------------------------------------------------------
#$Date: 2017-10-13 11:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/22/06/2220618.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_2220618
loop_
_publ_author_name
'Miao, Shao-Bin'
'Zang, Lu-Lu'
'Fan, Ya-Wei'
'Ji, Bao-Ming'
_publ_section_title
N²,N^2'^-Bis(2-hydroxybenzylidene)-2,2'-bipyridyl-3,3'-dicarbohydrazide
_journal_coeditor_code           SI2129
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o75
_journal_paper_doi               10.1107/S1600536808038087
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C26 H20 N6 O4'
_chemical_formula_moiety         'C26 H20 N6 O4'
_chemical_formula_sum            'C26 H20 N6 O4'
_chemical_formula_weight         480.48
_chemical_name_systematic
;
N²,N^2'^-Bis(2-hydroxybenzylidene)-2,2'-bipyridyl-3,3'-dicarbohydrazide
;
_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           SHELXL97
_cell_angle_alpha                98.842(2)
_cell_angle_beta                 108.895(2)
_cell_angle_gamma                104.591(2)
_cell_formula_units_Z            2
_cell_length_a                   9.4251(13)
_cell_length_b                   11.7642(16)
_cell_length_c                   12.0384(16)
_cell_measurement_reflns_used    2245
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.75
_cell_measurement_theta_min      2.41
_cell_volume                     1181.1(3)
_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8593
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_T_max  0.9907
_exptl_absorpt_correction_T_min  0.9558
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.460
_refine_diff_density_min         -0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4281
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0497P)²+0.2276P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1108
_reflns_number_gt                3119
_reflns_number_total             4281
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            si2129.cif
_cod_data_source_block           I
_cod_database_code               2220618
_cod_database_fobs_code          2220618
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
O O1 0.91934(18) 0.72851(13) 0.61871(15) 0.0628(4) Uani d . 1 . .
H H1 0.8614 0.7551 0.5702 0.094 Uiso calc R 1 . .
O O2 0.54744(16) 0.76483(12) 0.33652(13) 0.0531(4) Uani d . 1 . .
O O3 0.03313(14) 0.63641(12) 0.00365(11) 0.0452(3) Uani d . 1 . .
O O4 0.76743(15) 0.68107(15) 0.01770(12) 0.0586(4) Uani d . 1 . .
H H4 0.8519 0.6749 0.0170 0.088 Uiso calc R 1 . .
N N1 0.81685(17) 0.90089(14) 0.53315(14) 0.0400(4) Uani d . 1 . .
N N2 0.70967(17) 0.94879(14) 0.46351(13) 0.0399(4) Uani d . 1 . .
H H2D 0.7280 1.0261 0.4795 0.048 Uiso calc R 1 . .
N N3 0.20060(19) 0.93570(15) 0.21026(14) 0.0458(4) Uani d . 1 . .
N N4 0.23711(19) 0.79268(14) 0.42134(13) 0.0413(4) Uani d . 1 . .
N N5 0.29163(16) 0.65006(13) 0.09343(13) 0.0370(4) Uani d . 1 . .
H H5D 0.3693 0.6630 0.1609 0.044 Uiso calc R 1 . .
N N6 0.31480(17) 0.62971(13) -0.01446(13) 0.0355(4) Uani d . 1 . .
C C1 1.0361(2) 0.82252(18) 0.70788(18) 0.0448(5) Uani d . 1 . .
C C2 1.1409(3) 0.7965(2) 0.8036(2) 0.0579(6) Uani d . 1 . .
H H2 1.1310 0.7160 0.8046 0.070 Uiso calc R 1 . .
C C3 1.2592(3) 0.8884(2) 0.8969(2) 0.0645(7) Uani d . 1 . .
H H3 1.3274 0.8694 0.9612 0.077 Uiso calc R 1 . .
C C4 1.2783(3) 1.0079(2) 0.8970(2) 0.0607(6) Uani d . 1 . .
H H4A 1.3601 1.0695 0.9598 0.073 Uiso calc R 1 . .
C C5 1.1754(2) 1.03568(19) 0.80321(18) 0.0488(5) Uani d . 1 . .
H H5 1.1873 1.1167 0.8038 0.059 Uiso calc R 1 . .
C C6 1.0531(2) 0.94455(17) 0.70696(16) 0.0383(4) Uani d . 1 . .
C C7 0.9401(2) 0.97971(17) 0.61685(16) 0.0385(4) Uani d . 1 . .
H H7 0.9575 1.0617 0.6199 0.046 Uiso calc R 1 . .
C C8 0.5773(2) 0.87486(17) 0.37108(16) 0.0375(4) Uani d . 1 . .
C C9 0.4686(2) 0.93978(16) 0.31156(15) 0.0348(4) Uani d . 1 . .
C C10 0.5244(2) 1.05037(17) 0.28697(17) 0.0423(5) Uani d . 1 . .
H H10 0.6328 1.0889 0.3118 0.051 Uiso calc R 1 . .
C C11 0.4186(3) 1.10226(19) 0.22581(19) 0.0509(5) Uani d . 1 . .
H H11 0.4541 1.1773 0.2107 0.061 Uiso calc R 1 . .
C C12 0.2594(3) 1.04164(19) 0.18726(19) 0.0518(5) Uani d . 1 . .
H H12 0.1885 1.0759 0.1428 0.062 Uiso calc R 1 . .
C C13 0.3044(2) 0.88770(16) 0.27334(15) 0.0340(4) Uani d . 1 . .
C C14 0.22940(19) 0.77607(16) 0.30632(15) 0.0332(4) Uani d . 1 . .
C C15 0.1631(2) 0.69644(19) 0.45134(18) 0.0488(5) Uani d . 1 . .
H H15 0.1702 0.7059 0.5313 0.059 Uiso calc R 1 . .
C C16 0.0775(2) 0.58480(19) 0.37127(18) 0.0514(5) Uani d . 1 . .
H H16 0.0274 0.5208 0.3964 0.062 Uiso calc R 1 . .
C C17 0.0671(2) 0.56921(18) 0.25305(18) 0.0459(5) Uani d . 1 . .
H H17 0.0075 0.4950 0.1963 0.055 Uiso calc R 1 . .
C C18 0.14672(19) 0.66555(16) 0.21967(15) 0.0334(4) Uani d . 1 . .
C C19 0.1497(2) 0.65002(15) 0.09467(16) 0.0333(4) Uani d . 1 . .
C C20 0.4561(2) 0.63447(16) -0.00311(16) 0.0359(4) Uani d . 1 . .
H H20 0.5342 0.6531 0.0740 0.043 Uiso calc R 1 . .
C C21 0.4959(2) 0.61090(16) -0.11018(16) 0.0358(4) Uani d . 1 . .
C C22 0.3798(2) 0.5622(2) -0.22627(19) 0.0532(5) Uani d . 1 . .
H H22 0.2738 0.5441 -0.2363 0.064 Uiso calc R 1 . .
C C23 0.4176(3) 0.5402(2) -0.3266(2) 0.0697(7) Uani d . 1 . .
H H23 0.3381 0.5068 -0.4036 0.084 Uiso calc R 1 . .
C C24 0.5753(3) 0.5682(2) -0.3121(2) 0.0662(7) Uani d . 1 . .
H H24 0.6017 0.5546 -0.3798 0.079 Uiso calc R 1 . .
C C25 0.6928(2) 0.6157(2) -0.1985(2) 0.0522(5) Uani d . 1 . .
H H25 0.7985 0.6345 -0.1897 0.063 Uiso calc R 1 . .
C C26 0.6548(2) 0.63589(16) -0.09660(17) 0.0385(4) Uani 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
C1 O1 H1 . . 109.5 ?
C26 O4 H4 . . 109.5 ?
C7 N1 N2 . . 114.91(16) ?
C8 N2 N1 . . 120.29(15) ?
C8 N2 H2D . . 119.9 ?
N1 N2 H2D . . 119.9 ?
C13 N3 C12 . . 117.24(17) ?
C15 N4 C14 . . 117.06(16) ?
C19 N5 N6 . . 121.03(14) ?
C19 N5 H5D . . 119.5 ?
N6 N5 H5D . . 119.5 ?
C20 N6 N5 . . 114.90(14) ?
O1 C1 C2 . . 118.42(19) ?
O1 C1 C6 . . 122.38(17) ?
C2 C1 C6 . . 119.20(19) ?
C3 C2 C1 . . 120.6(2) ?
C3 C2 H2 . . 119.7 ?
C1 C2 H2 . . 119.7 ?
C4 C3 C2 . . 121.0(2) ?
C4 C3 H3 . . 119.5 ?
C2 C3 H3 . . 119.5 ?
C3 C4 C5 . . 119.4(2) ?
C3 C4 H4A . . 120.3 ?
C5 C4 H4A . . 120.3 ?
C4 C5 C6 . . 121.3(2) ?
C4 C5 H5 . . 119.4 ?
C6 C5 H5 . . 119.4 ?
C5 C6 C1 . . 118.61(17) ?
C5 C6 C7 . . 118.48(18) ?
C1 C6 C7 . . 122.62(17) ?
N1 C7 C6 . . 121.70(18) ?
N1 C7 H7 . . 119.2 ?
C6 C7 H7 . . 119.2 ?
O2 C8 N2 . . 124.11(17) ?
O2 C8 C9 . . 122.32(16) ?
N2 C8 C9 . . 113.56(16) ?
C10 C9 C13 . . 117.33(16) ?
C10 C9 C8 . . 122.09(17) ?
C13 C9 C8 . . 120.52(16) ?
C11 C10 C9 . . 119.50(18) ?
C11 C10 H10 . . 120.3 ?
C9 C10 H10 . . 120.3 ?
C10 C11 C12 . . 118.93(18) ?
C10 C11 H11 . . 120.5 ?
C12 C11 H11 . . 120.5 ?
N3 C12 C11 . . 123.45(19) ?
N3 C12 H12 . . 118.3 ?
C11 C12 H12 . . 118.3 ?
N3 C13 C9 . . 123.44(16) ?
N3 C13 C14 . . 113.82(15) ?
C9 C13 C14 . . 122.65(15) ?
N4 C14 C18 . . 122.77(16) ?
N4 C14 C13 . . 115.72(15) ?
C18 C14 C13 . . 121.31(15) ?
N4 C15 C16 . . 123.90(18) ?
N4 C15 H15 . . 118.1 ?
C16 C15 H15 . . 118.1 ?
C15 C16 C17 . . 118.71(18) ?
C15 C16 H16 . . 120.6 ?
C17 C16 H16 . . 120.6 ?
C16 C17 C18 . . 119.02(18) ?
C16 C17 H17 . . 120.5 ?
C18 C17 H17 . . 120.5 ?
C17 C18 C14 . . 118.48(16) ?
C17 C18 C19 . . 120.92(16) ?
C14 C18 C19 . . 120.56(15) ?
O3 C19 N5 . . 124.31(16) ?
O3 C19 C18 . . 123.07(15) ?
N5 C19 C18 . . 112.61(15) ?
N6 C20 C21 . . 120.59(16) ?
N6 C20 H20 . . 119.7 ?
C21 C20 H20 . . 119.7 ?
C22 C21 C26 . . 118.43(17) ?
C22 C21 C20 . . 121.77(16) ?
C26 C21 C20 . . 119.79(16) ?
C23 C22 C21 . . 121.58(19) ?
C23 C22 H22 . . 119.2 ?
C21 C22 H22 . . 119.2 ?
C22 C23 C24 . . 119.3(2) ?
C22 C23 H23 . . 120.3 ?
C24 C23 H23 . . 120.3 ?
C25 C24 C23 . . 120.5(2) ?
C25 C24 H24 . . 119.7 ?
C23 C24 H24 . . 119.7 ?
C24 C25 C26 . . 120.28(19) ?
C24 C25 H25 . . 119.9 ?
C26 C25 H25 . . 119.9 ?
O4 C26 C25 . . 122.21(17) ?
O4 C26 C21 . . 117.96(16) ?
C25 C26 C21 . . 119.82(18) ?
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
O1 C1 . 1.358(2) ?
O1 H1 . 0.8200 ?
O2 C8 . 1.226(2) ?
O3 C19 . 1.229(2) ?
O4 C26 . 1.359(2) ?
O4 H4 . 0.8200 ?
N1 C7 . 1.279(2) ?
N1 N2 . 1.387(2) ?
N2 C8 . 1.345(2) ?
N2 H2D . 0.8600 ?
N3 C13 . 1.335(2) ?
N3 C12 . 1.340(2) ?
N4 C15 . 1.338(2) ?
N4 C14 . 1.344(2) ?
N5 C19 . 1.343(2) ?
N5 N6 . 1.3807(19) ?
N5 H5D . 0.8600 ?
N6 C20 . 1.280(2) ?
C1 C2 . 1.386(3) ?
C1 C6 . 1.406(3) ?
C2 C3 . 1.372(3) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.371(3) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.373(3) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.397(3) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.447(2) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.494(2) ?
C9 C10 . 1.390(2) ?
C9 C13 . 1.398(2) ?
C10 C11 . 1.371(3) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.372(3) ?
C11 H11 . 0.9300 ?
C12 H12 . 0.9300 ?
C13 C14 . 1.502(2) ?
C14 C18 . 1.390(2) ?
C15 C16 . 1.371(3) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.374(3) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.384(2) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.498(2) ?
C20 C21 . 1.461(2) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.388(3) ?
C21 C26 . 1.401(2) ?
C22 C23 . 1.372(3) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.383(3) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.372(3) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.388(3) ?
C25 H25 . 0.9300 ?
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
N5 H5D O2 . 0.86 2.15 2.962(2) 156.8
N2 H2D N4 2_676 0.86 2.17 2.985(2) 159.2
O4 H4 O3 1_655 0.82 1.92 2.736(2) 171.8
O1 H1 N1 . 0.82 1.95 2.663(2) 145.2
C10 H10 Cg3 2_776 0.93 2.76 3.458(2) 133
C11 H11 Cg4 2_675 0.93 2.73 3.588(2) 154
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
C7 N1 N2 C8 . . . . 178.55(16) ?
C19 N5 N6 C20 . . . . 178.69(16) ?
O1 C1 C2 C3 . . . . -178.8(2) ?
C6 C1 C2 C3 . . . . 0.5(3) ?
C1 C2 C3 C4 . . . . -1.1(4) ?
C2 C3 C4 C5 . . . . 1.3(4) ?
C3 C4 C5 C6 . . . . -1.0(3) ?
C4 C5 C6 C1 . . . . 0.4(3) ?
C4 C5 C6 C7 . . . . 174.46(19) ?
O1 C1 C6 C5 . . . . 179.16(18) ?
C2 C1 C6 C5 . . . . -0.1(3) ?
O1 C1 C6 C7 . . . . 5.3(3) ?
C2 C1 C6 C7 . . . . -173.96(18) ?
N2 N1 C7 C6 . . . . 171.98(15) ?
C5 C6 C7 N1 . . . . -173.13(17) ?
C1 C6 C7 N1 . . . . 0.7(3) ?
N1 N2 C8 O2 . . . . -5.5(3) ?
N1 N2 C8 C9 . . . . 175.49(14) ?
O2 C8 C9 C10 . . . . -137.05(19) ?
N2 C8 C9 C10 . . . . 42.0(2) ?
O2 C8 C9 C13 . . . . 40.0(3) ?
N2 C8 C9 C13 . . . . -140.91(17) ?
C13 C9 C10 C11 . . . . -1.0(3) ?
C8 C9 C10 C11 . . . . 176.21(17) ?
C9 C10 C11 C12 . . . . -1.8(3) ?
C13 N3 C12 C11 . . . . -0.5(3) ?
C10 C11 C12 N3 . . . . 2.7(3) ?
C12 N3 C13 C9 . . . . -2.6(3) ?
C12 N3 C13 C14 . . . . 173.98(16) ?
C10 C9 C13 N3 . . . . 3.3(3) ?
C8 C9 C13 N3 . . . . -173.91(16) ?
C10 C9 C13 C14 . . . . -172.94(16) ?
C8 C9 C13 C14 . . . . 9.8(3) ?
C15 N4 C14 C18 . . . . 1.2(3) ?
C15 N4 C14 C13 . . . . 176.13(16) ?
N3 C13 C14 N4 . . . . -101.74(18) ?
C9 C13 C14 N4 . . . . 74.8(2) ?
N3 C13 C14 C18 . . . . 73.3(2) ?
C9 C13 C14 C18 . . . . -110.1(2) ?
C14 N4 C15 C16 . . . . -2.0(3) ?
N4 C15 C16 C17 . . . . 0.6(3) ?
C15 C16 C17 C18 . . . . 1.7(3) ?
C16 C17 C18 C14 . . . . -2.4(3) ?
C16 C17 C18 C19 . . . . 175.03(17) ?
N4 C14 C18 C17 . . . . 1.0(3) ?
C13 C14 C18 C17 . . . . -173.68(16) ?
N4 C14 C18 C19 . . . . -176.47(16) ?
C13 C14 C18 C19 . . . . 8.9(2) ?
N6 N5 C19 O3 . . . . -2.5(3) ?
N6 N5 C19 C18 . . . . 176.19(14) ?
C17 C18 C19 O3 . . . . 71.2(2) ?
C14 C18 C19 O3 . . . . -111.4(2) ?
C17 C18 C19 N5 . . . . -107.46(19) ?
C14 C18 C19 N5 . . . . 69.9(2) ?
N5 N6 C20 C21 . . . . 178.09(14) ?
N6 C20 C21 C22 . . . . -11.5(3) ?
N6 C20 C21 C26 . . . . 169.45(17) ?
C26 C21 C22 C23 . . . . -1.0(3) ?
C20 C21 C22 C23 . . . . -180.0(2) ?
C21 C22 C23 C24 . . . . -0.6(4) ?
C22 C23 C24 C25 . . . . 1.0(4) ?
C23 C24 C25 C26 . . . . 0.3(4) ?
C24 C25 C26 O4 . . . . 179.0(2) ?
C24 C25 C26 C21 . . . . -1.9(3) ?
C22 C21 C26 O4 . . . . -178.60(18) ?
C20 C21 C26 O4 . . . . 0.4(3) ?
C22 C21 C26 C25 . . . . 2.2(3) ?
C20 C21 C26 C25 . . . . -178.76(17) ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30655697
