#------------------------------------------------------------------------------
#$Date: 2017-10-13 11:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/22/64/2226472.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_2226472
loop_
_publ_author_name
'Liu, Ying'
'Zhang, Xianxi'
'Xue, Zechun'
'Sheng, Jian'
_publ_section_title
;
 Dibutyl 5-[(4-ethoxycarbonylphenyl)diazenyl]benzene-1,3-dicarboxylate
;
_journal_coeditor_code           HB5477
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1730
_journal_paper_doi               10.1107/S1600536810022762
_journal_volume                  66
_journal_year                    2010
_chemical_formula_moiety         'C25 H30 N2 O6'
_chemical_formula_sum            'C25 H30 N2 O6'
_chemical_formula_weight         454.51
_chemical_name_systematic
;
Dibutyl 5-[(4-ethoxycarbonylphenyl)diazenyl]benzene-1,3-dicarboxylate
;
_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                97.311(3)
_cell_angle_beta                 94.806(3)
_cell_angle_gamma                109.793(2)
_cell_formula_units_Z            2
_cell_length_a                   8.675(2)
_cell_length_b                   11.299(3)
_cell_length_c                   13.636(3)
_cell_measurement_reflns_used    2660
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.06
_cell_measurement_theta_min      2.52
_cell_volume                     1235.8(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω 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  0.0220
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8643
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.52
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.990
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.545
_refine_diff_density_min         -0.316
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         4275
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0639
_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)+(0.1149P)²+0.3064P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1885
_refine_ls_wR_factor_ref         0.2183
_reflns_number_gt                2736
_reflns_number_total             4275
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb5477.cif
_cod_data_source_block           I
_cod_database_code               2226472
_cod_database_fobs_code          2226472
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 1.0434(3) 0.2950(2) 0.48258(15) 0.0725(6) Uani d . 1 . .
O O2 0.8502(3) 0.3718(2) 0.52977(16) 0.0932(8) Uani d . 1 . .
O O3 0.7562(3) -0.0204(2) 0.05822(16) 0.0871(7) Uani d . 1 . .
O O4 0.9356(3) -0.0106(2) 0.18814(15) 0.0810(7) Uani d . 1 . .
O O5 -0.2310(2) 0.3824(2) 0.02977(15) 0.0714(6) Uani d . 1 . .
O O6 -0.1835(3) 0.5354(2) 0.1600(2) 0.0974(8) Uani d . 1 . .
N N1 0.4477(3) 0.2563(2) 0.19969(16) 0.0588(6) Uani d . 1 . .
N N2 0.4018(3) 0.3269(2) 0.25818(16) 0.0577(6) Uani d . 1 . .
C C1 1.3390(8) -0.0964(7) 0.3283(5) 0.173(3) Uani d . 1 . .
H H1A 1.3681 -0.1621 0.2913 0.260 Uiso calc R 1 . .
H H1B 1.3211 -0.1154 0.3940 0.260 Uiso calc R 1 . .
H H1C 1.4271 -0.0159 0.3333 0.260 Uiso calc R 1 . .
C C2 1.1938(10) -0.0905(10) 0.2790(6) 0.225(4) Uani d D 1 . .
H H2A 1.1052 -0.1568 0.3004 0.270 Uiso calc R 1 . .
H H2B 1.1878 -0.0105 0.3104 0.270 Uiso calc R 1 . .
C C3 1.1450(9) -0.0977(7) 0.1825(5) 0.189(3) Uani d DU 1 . .
H H3A 1.1593 -0.1744 0.1507 0.227 Uiso calc R 1 . .
H H3B 1.2301 -0.0275 0.1625 0.227 Uiso calc R 1 . .
C C4 0.9940(5) -0.0991(4) 0.1300(3) 0.0905(11) Uani d U 1 . .
H H4A 0.9116 -0.1843 0.1198 0.109 Uiso calc R 1 . .
H H4B 1.0129 -0.0745 0.0652 0.109 Uiso calc R 1 . .
C C5 1.2579(9) 0.1314(8) 0.5848(7) 0.207(4) Uani d . 1 . .
H H5A 1.2809 0.1655 0.6548 0.311 Uiso calc R 1 . .
H H5B 1.3017 0.0643 0.5720 0.311 Uiso calc R 1 . .
H H5C 1.1405 0.0980 0.5646 0.311 Uiso calc R 1 . .
C C6 1.3321(7) 0.2288(7) 0.5303(5) 0.149(2) Uani d . 1 . .
H H6A 1.2823 0.2014 0.4611 0.179 Uiso calc R 1 . .
H H6B 1.4485 0.2407 0.5327 0.179 Uiso calc R 1 . .
C C7 1.3166(5) 0.3532(4) 0.5670(4) 0.1102(14) Uani d . 1 . .
H H7A 1.3649 0.4117 0.5223 0.132 Uiso calc R 1 . .
H H7B 1.3831 0.3866 0.6319 0.132 Uiso calc R 1 . .
C C8 1.1471(4) 0.3556(3) 0.5769(2) 0.0842(10) Uani d . 1 . .
H H8A 1.1025 0.3102 0.6298 0.101 Uiso calc R 1 . .
H H8B 1.1516 0.4429 0.5931 0.101 Uiso calc R 1 . .
C C9 0.8992(4) 0.3119(3) 0.4689(2) 0.0642(8) Uani d . 1 . .
C C10 0.8072(3) 0.2505(2) 0.36752(19) 0.0545(7) Uani d . 1 . .
C C11 0.8557(3) 0.1654(2) 0.3055(2) 0.0552(7) Uani d . 1 . .
H H11 0.9463 0.1446 0.3274 0.066 Uiso calc R 1 . .
C C12 0.7685(3) 0.1118(2) 0.21106(19) 0.0527(6) Uani d . 1 . .
C C13 0.8165(3) 0.0201(3) 0.1433(2) 0.0615(7) Uani d . 1 . .
C C14 0.6346(3) 0.1444(2) 0.1786(2) 0.0569(7) Uani d . 1 . .
H H14 0.5769 0.1095 0.1150 0.068 Uiso calc R 1 . .
C C15 0.5867(3) 0.2286(2) 0.24046(19) 0.0523(6) Uani d . 1 . .
C C16 0.6712(3) 0.2805(2) 0.33568(19) 0.0532(6) Uani d . 1 . .
H H16 0.6367 0.3351 0.3779 0.064 Uiso calc R 1 . .
C C17 0.2637(3) 0.3539(2) 0.21661(19) 0.0523(6) Uani d . 1 . .
C C18 0.1725(3) 0.2944(3) 0.1236(2) 0.0603(7) Uani d . 1 . .
H H18 0.2007 0.2334 0.0842 0.072 Uiso calc R 1 . .
C C19 0.0408(3) 0.3268(3) 0.0906(2) 0.0608(7) Uani d . 1 . .
H H19 -0.0207 0.2868 0.0287 0.073 Uiso calc R 1 . .
C C20 -0.0022(3) 0.4184(2) 0.1480(2) 0.0538(6) Uani d . 1 . .
C C21 0.0888(3) 0.4765(3) 0.2404(2) 0.0631(7) Uani d . 1 . .
H H21 0.0611 0.5380 0.2796 0.076 Uiso calc R 1 . .
C C22 0.2203(3) 0.4437(3) 0.2744(2) 0.0623(7) Uani d . 1 . .
H H22 0.2802 0.4824 0.3369 0.075 Uiso calc R 1 . .
C C23 -0.1457(4) 0.4536(3) 0.1153(2) 0.0629(7) Uani d . 1 . .
C C24 -0.3775(4) 0.4066(4) -0.0072(3) 0.0835(10) Uani d . 1 . .
H H24A -0.3473 0.4937 -0.0197 0.100 Uiso calc R 1 . .
H H24B -0.4538 0.3948 0.0419 0.100 Uiso calc R 1 . .
C C25 -0.4555(5) 0.3171(5) -0.0998(4) 0.1176(15) Uani d . 1 . .
H H25A -0.3772 0.3263 -0.1467 0.176 Uiso calc R 1 . .
H H25B -0.5491 0.3349 -0.1276 0.176 Uiso calc R 1 . .
H H25C -0.4913 0.2314 -0.0860 0.176 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
C9 O1 C8 . . 116.9(2) ?
C13 O4 C4 . . 117.4(2) ?
C23 O5 C24 . . 116.5(2) ?
N2 N1 C15 . . 114.7(2) ?
N1 N2 C17 . . 114.1(2) ?
C2 C1 H1A . . 109.5 ?
C2 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
C2 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
C3 C2 C1 . . 131.1(7) ?
C3 C2 H2A . . 104.5 ?
C1 C2 H2A . . 104.5 ?
C3 C2 H2B . . 104.5 ?
C1 C2 H2B . . 104.5 ?
H2A C2 H2B . . 105.6 ?
C2 C3 C4 . . 132.1(6) ?
C2 C3 H3A . . 104.2 ?
C4 C3 H3A . . 104.2 ?
C2 C3 H3B . . 104.2 ?
C4 C3 H3B . . 104.2 ?
H3A C3 H3B . . 105.5 ?
C3 C4 O4 . . 108.9(3) ?
C3 C4 H4A . . 109.9 ?
O4 C4 H4A . . 109.9 ?
C3 C4 H4B . . 109.9 ?
O4 C4 H4B . . 109.9 ?
H4A C4 H4B . . 108.3 ?
C6 C5 H5A . . 109.5 ?
C6 C5 H5B . . 109.5 ?
H5A C5 H5B . . 109.5 ?
C6 C5 H5C . . 109.5 ?
H5A C5 H5C . . 109.5 ?
H5B C5 H5C . . 109.5 ?
C5 C6 C7 . . 114.3(6) ?
C5 C6 H6A . . 108.7 ?
C7 C6 H6A . . 108.7 ?
C5 C6 H6B . . 108.7 ?
C7 C6 H6B . . 108.7 ?
H6A C6 H6B . . 107.6 ?
C6 C7 C8 . . 118.0(4) ?
C6 C7 H7A . . 107.8 ?
C8 C7 H7A . . 107.8 ?
C6 C7 H7B . . 107.8 ?
C8 C7 H7B . . 107.8 ?
H7A C7 H7B . . 107.2 ?
O1 C8 C7 . . 107.9(3) ?
O1 C8 H8A . . 110.1 ?
C7 C8 H8A . . 110.1 ?
O1 C8 H8B . . 110.1 ?
C7 C8 H8B . . 110.1 ?
H8A C8 H8B . . 108.4 ?
O2 C9 O1 . . 124.2(3) ?
O2 C9 C10 . . 123.8(3) ?
O1 C9 C10 . . 111.9(2) ?
C16 C10 C11 . . 120.3(2) ?
C16 C10 C9 . . 118.2(2) ?
C11 C10 C9 . . 121.5(2) ?
C12 C11 C10 . . 119.8(2) ?
C12 C11 H11 . . 120.1 ?
C10 C11 H11 . . 120.1 ?
C14 C12 C11 . . 119.7(2) ?
C14 C12 C13 . . 119.1(2) ?
C11 C12 C13 . . 121.1(2) ?
O3 C13 O4 . . 123.8(2) ?
O3 C13 C12 . . 124.4(3) ?
O4 C13 C12 . . 111.9(2) ?
C15 C14 C12 . . 120.2(2) ?
C15 C14 H14 . . 119.9 ?
C12 C14 H14 . . 119.9 ?
C14 C15 C16 . . 120.4(2) ?
C14 C15 N1 . . 115.8(2) ?
C16 C15 N1 . . 123.8(2) ?
C10 C16 C15 . . 119.6(2) ?
C10 C16 H16 . . 120.2 ?
C15 C16 H16 . . 120.2 ?
C22 C17 C18 . . 119.8(2) ?
C22 C17 N2 . . 116.3(2) ?
C18 C17 N2 . . 123.9(2) ?
C19 C18 C17 . . 119.3(2) ?
C19 C18 H18 . . 120.3 ?
C17 C18 H18 . . 120.3 ?
C18 C19 C20 . . 121.1(2) ?
C18 C19 H19 . . 119.4 ?
C20 C19 H19 . . 119.4 ?
C21 C20 C19 . . 119.1(2) ?
C21 C20 C23 . . 118.5(2) ?
C19 C20 C23 . . 122.4(2) ?
C22 C21 C20 . . 120.2(2) ?
C22 C21 H21 . . 119.9 ?
C20 C21 H21 . . 119.9 ?
C21 C22 C17 . . 120.5(2) ?
C21 C22 H22 . . 119.7 ?
C17 C22 H22 . . 119.7 ?
O6 C23 O5 . . 123.0(3) ?
O6 C23 C20 . . 124.8(3) ?
O5 C23 C20 . . 112.2(2) ?
O5 C24 C25 . . 108.2(3) ?
O5 C24 H24A . . 110.1 ?
C25 C24 H24A . . 110.1 ?
O5 C24 H24B . . 110.1 ?
C25 C24 H24B . . 110.1 ?
H24A C24 H24B . . 108.4 ?
C24 C25 H25A . . 109.5 ?
C24 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
C24 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 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
O1 C9 . 1.329(3) ?
O1 C8 . 1.448(3) ?
O2 C9 . 1.200(3) ?
O3 C13 . 1.196(3) ?
O4 C13 . 1.324(3) ?
O4 C4 . 1.447(3) ?
O5 C23 . 1.330(3) ?
O5 C24 . 1.452(3) ?
O6 C23 . 1.195(3) ?
N1 N2 . 1.240(3) ?
N1 C15 . 1.431(3) ?
N2 C17 . 1.423(3) ?
C1 C2 . 1.403(7) ?
C1 H1A . 0.9600 ?
C1 H1B . 0.9600 ?
C1 H1C . 0.9600 ?
C2 C3 . 1.331(7) ?
C2 H2A . 0.9700 ?
C2 H2B . 0.9700 ?
C3 C4 . 1.434(7) ?
C3 H3A . 0.9700 ?
C3 H3B . 0.9700 ?
C4 H4A . 0.9700 ?
C4 H4B . 0.9700 ?
C5 C6 . 1.409(8) ?
C5 H5A . 0.9600 ?
C5 H5B . 0.9600 ?
C5 H5C . 0.9600 ?
C6 C7 . 1.485(7) ?
C6 H6A . 0.9700 ?
C6 H6B . 0.9700 ?
C7 C8 . 1.496(5) ?
C7 H7A . 0.9700 ?
C7 H7B . 0.9700 ?
C8 H8A . 0.9700 ?
C8 H8B . 0.9700 ?
C9 C10 . 1.492(4) ?
C10 C16 . 1.385(3) ?
C10 C11 . 1.394(3) ?
C11 C12 . 1.388(4) ?
C11 H11 . 0.9300 ?
C12 C14 . 1.388(4) ?
C12 C13 . 1.488(3) ?
C14 C15 . 1.383(3) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.386(4) ?
C16 H16 . 0.9300 ?
C17 C22 . 1.378(3) ?
C17 C18 . 1.393(4) ?
C18 C19 . 1.372(4) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.388(3) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.384(4) ?
C20 C23 . 1.481(4) ?
C21 C22 . 1.377(4) ?
C21 H21 . 0.9300 ?
C22 H22 . 0.9300 ?
C24 C25 . 1.465(5) ?
C24 H24A . 0.9700 ?
C24 H24B . 0.9700 ?
C25 H25A . 0.9600 ?
C25 H25B . 0.9600 ?
C25 H25C . 0.9600 ?
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
C15 N1 N2 C17 . . . . 179.9(2) ?
C1 C2 C3 C4 . . . . 175.9(8) ?
C2 C3 C4 O4 . . . . 39.1(12) ?
C13 O4 C4 C3 . . . . 166.9(4) ?
C5 C6 C7 C8 . . . . -54.1(7) ?
C9 O1 C8 C7 . . . . -165.9(3) ?
C6 C7 C8 O1 . . . . -52.5(5) ?
C8 O1 C9 O2 . . . . -1.0(5) ?
C8 O1 C9 C10 . . . . 177.2(3) ?
O2 C9 C10 C16 . . . . 10.6(5) ?
O1 C9 C10 C16 . . . . -167.7(2) ?
O2 C9 C10 C11 . . . . -169.7(3) ?
O1 C9 C10 C11 . . . . 12.1(4) ?
C16 C10 C11 C12 . . . . 0.8(4) ?
C9 C10 C11 C12 . . . . -179.0(3) ?
C10 C11 C12 C14 . . . . 0.7(4) ?
C10 C11 C12 C13 . . . . -179.7(2) ?
C4 O4 C13 O3 . . . . -0.4(5) ?
C4 O4 C13 C12 . . . . -179.8(3) ?
C14 C12 C13 O3 . . . . 6.7(4) ?
C11 C12 C13 O3 . . . . -173.0(3) ?
C14 C12 C13 O4 . . . . -174.0(2) ?
C11 C12 C13 O4 . . . . 6.4(4) ?
C11 C12 C14 C15 . . . . -0.9(4) ?
C13 C12 C14 C15 . . . . 179.5(2) ?
C12 C14 C15 C16 . . . . -0.5(4) ?
C12 C14 C15 N1 . . . . 179.7(2) ?
N2 N1 C15 C14 . . . . 176.5(2) ?
N2 N1 C15 C16 . . . . -3.3(4) ?
C11 C10 C16 C15 . . . . -2.1(4) ?
C9 C10 C16 C15 . . . . 177.7(2) ?
C14 C15 C16 C10 . . . . 1.9(4) ?
N1 C15 C16 C10 . . . . -178.3(2) ?
N1 N2 C17 C22 . . . . -172.5(2) ?
N1 N2 C17 C18 . . . . 8.1(4) ?
C22 C17 C18 C19 . . . . 0.3(4) ?
N2 C17 C18 C19 . . . . 179.6(2) ?
C17 C18 C19 C20 . . . . 0.5(4) ?
C18 C19 C20 C21 . . . . -0.7(4) ?
C18 C19 C20 C23 . . . . -178.8(3) ?
C19 C20 C21 C22 . . . . 0.1(4) ?
C23 C20 C21 C22 . . . . 178.2(3) ?
C20 C21 C22 C17 . . . . 0.7(5) ?
C18 C17 C22 C21 . . . . -0.9(4) ?
N2 C17 C22 C21 . . . . 179.7(3) ?
C24 O5 C23 O6 . . . . -1.3(5) ?
C24 O5 C23 C20 . . . . 178.1(2) ?
C21 C20 C23 O6 . . . . 5.3(5) ?
C19 C20 C23 O6 . . . . -176.7(3) ?
C21 C20 C23 O5 . . . . -174.1(2) ?
C19 C20 C23 O5 . . . . 3.9(4) ?
C23 O5 C24 C25 . . . . -178.6(3) ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30656117
