#------------------------------------------------------------------------------
#$Date: 2017-10-13 11:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/22/54/2225456.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_2225456
loop_
_publ_author_name
'Yehye, Wagee A.'
'Ariffin, Azhar'
'Rahman, Noorsaadah Abdul'
'Ng, Seik Weng'
_publ_section_title
;
 N'-[(Biphenyl-4-yl)methylene]-2-[(3,5-di-tert-butyl-4-hydroxybenzyl)sulfanyl]acetohydrazide
;
_journal_coeditor_code           BT5202
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o734
_journal_paper_doi               10.1107/S1600536810006884
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C30 H36 N2 O2 S'
_chemical_formula_moiety         'C30 H36 N2 O2 S'
_chemical_formula_sum            'C30 H36 N2 O2 S'
_chemical_formula_weight         488.67
_chemical_name_systematic
;
N'-[(Biphenyl-4-yl)methylene]-2-[(3,5-di-tert-butyl-4-
hydroxybenzyl)sulfanyl]acetohydrazide
;
_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                104.435(2)
_cell_angle_beta                 102.805(2)
_cell_angle_gamma                97.559(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1104(11)
_cell_length_b                   10.5601(12)
_cell_length_c                   15.5146(18)
_cell_measurement_reflns_used    2001
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.2
_cell_measurement_theta_min      2.3
_cell_volume                     1381.7(3)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX diffractometer'
_diffrn_measurement_method       '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  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0512
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10977
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.145
_exptl_absorpt_correction_T_max  0.9856
_exptl_absorpt_correction_T_min  0.9442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.175
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.169
_refine_diff_density_min         -0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         4873
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0723
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0664P)²+0.0264P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1188
_refine_ls_wR_factor_ref         0.1352
_reflns_number_gt                3404
_reflns_number_total             4873
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt5202.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2225456
_cod_database_fobs_code          2225456
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
S S1 0.76556(7) 0.68306(6) 0.78801(4) 0.0490(2) Uani d . 1 . .
O O1 0.5035(2) 0.7947(2) 1.15128(12) 0.0773(6) Uani d D 1 . .
H H1O 0.414(2) 0.758(5) 1.146(4) 0.20(2) Uiso d D 1 . .
O O2 0.54723(17) 0.65943(15) 0.58105(10) 0.0543(4) Uani d . 1 . .
N N1 0.7059(2) 0.51789(18) 0.55439(12) 0.0445(5) Uani d D 1 . .
H H1 0.6318(18) 0.4645(17) 0.5098(11) 0.048(6) Uiso d D 1 . .
N N2 0.8470(2) 0.48554(18) 0.57906(12) 0.0449(4) Uani d . 1 . .
C C1 0.5274(2) 0.7853(2) 1.06541(15) 0.0472(6) Uani d . 1 . .
C C2 0.4146(2) 0.7092(2) 0.98530(15) 0.0443(5) Uani d . 1 . .
C C3 0.4476(2) 0.7061(2) 0.90205(15) 0.0475(6) Uani d . 1 . .
H H3 0.3756 0.6556 0.8477 0.057 Uiso calc R 1 . .
C C4 0.5832(2) 0.7749(2) 0.89644(15) 0.0465(6) Uani d . 1 . .
C C5 0.6914(2) 0.8472(2) 0.97723(15) 0.0468(6) Uani d . 1 . .
H H5 0.7831 0.8931 0.9736 0.056 Uiso calc R 1 . .
C C6 0.6687(2) 0.8541(2) 1.06363(15) 0.0428(5) Uani d . 1 . .
C C7 0.2608(2) 0.6336(2) 0.98892(17) 0.0538(6) Uani d . 1 . .
C C8 0.2880(3) 0.5279(3) 1.0406(2) 0.0774(8) Uani d . 1 . .
H H8A 0.3423 0.4667 1.0100 0.116 Uiso calc R 1 . .
H H8B 0.1910 0.4801 1.0409 0.116 Uiso calc R 1 . .
H H8C 0.3477 0.5711 1.1029 0.116 Uiso calc R 1 . .
C C9 0.1710(3) 0.7315(3) 1.0355(2) 0.0724(8) Uani d . 1 . .
H H9A 0.0774 0.6826 1.0394 0.109 Uiso calc R 1 . .
H H9B 0.1475 0.7919 0.9997 0.109 Uiso calc R 1 . .
H H9C 0.2323 0.7811 1.0964 0.109 Uiso calc R 1 . .
C C10 0.1580(3) 0.5607(3) 0.8920(2) 0.0779(8) Uani d . 1 . .
H H10A 0.2075 0.4953 0.8612 0.117 Uiso calc R 1 . .
H H10B 0.1405 0.6238 0.8575 0.117 Uiso calc R 1 . .
H H10C 0.0616 0.5174 0.8963 0.117 Uiso calc R 1 . .
C C11 0.7924(3) 0.9341(2) 1.15209(15) 0.0513(6) Uani d . 1 . .
C C12 0.7331(3) 1.0494(3) 1.20689(19) 0.0837(9) Uani d . 1 . .
H H12A 0.6451 1.0141 1.2243 0.126 Uiso calc R 1 . .
H H12B 0.7047 1.1066 1.1693 0.126 Uiso calc R 1 . .
H H12C 0.8124 1.0995 1.2613 0.126 Uiso calc R 1 . .
C C13 0.8421(3) 0.8430(3) 1.21158(19) 0.0748(8) Uani d . 1 . .
H H13A 0.7556 0.8054 1.2292 0.112 Uiso calc R 1 . .
H H13B 0.9211 0.8940 1.2659 0.112 Uiso calc R 1 . .
H H13C 0.8808 0.7725 1.1768 0.112 Uiso calc R 1 . .
C C14 0.9374(3) 0.9949(3) 1.13007(19) 0.0720(8) Uani d . 1 . .
H H14A 1.0121 1.0454 1.1865 0.108 Uiso calc R 1 . .
H H14B 0.9115 1.0525 1.0924 0.108 Uiso calc R 1 . .
H H14C 0.9793 0.9248 1.0976 0.108 Uiso calc R 1 . .
C C15 0.6138(3) 0.7729(3) 0.80454(16) 0.0578(6) Uani d . 1 . .
H H15A 0.6433 0.8635 0.8025 0.069 Uiso calc R 1 . .
H H15B 0.5212 0.7302 0.7553 0.069 Uiso calc R 1 . .
C C16 0.7967(2) 0.7190(2) 0.68495(14) 0.0445(5) Uani d . 1 . .
H H16A 0.7939 0.8118 0.6893 0.053 Uiso calc R 1 . .
H H16B 0.8969 0.7036 0.6786 0.053 Uiso calc R 1 . .
C C17 0.6743(2) 0.6309(2) 0.60228(14) 0.0415(5) Uani d . 1 . .
C C18 0.8649(3) 0.3747(2) 0.53133(15) 0.0486(6) Uani d . 1 . .
H H18 0.7843 0.3207 0.4826 0.058 Uiso calc R 1 . .
C C19 1.0115(2) 0.3318(2) 0.55261(15) 0.0448(5) Uani d . 1 . .
C C20 1.0305(3) 0.2105(2) 0.50071(16) 0.0520(6) Uani d . 1 . .
H H20 0.9502 0.1578 0.4513 0.062 Uiso calc R 1 . .
C C21 1.1672(3) 0.1671(2) 0.52141(16) 0.0508(6) Uani d . 1 . .
H H21 1.1770 0.0852 0.4857 0.061 Uiso calc R 1 . .
C C22 1.2902(2) 0.2427(2) 0.59426(15) 0.0438(5) Uani d . 1 . .
C C23 1.2704(3) 0.3650(2) 0.64509(16) 0.0539(6) Uani d . 1 . .
H H23 1.3511 0.4186 0.6939 0.065 Uiso calc R 1 . .
C C24 1.1346(3) 0.4084(2) 0.62486(16) 0.0549(6) Uani d . 1 . .
H H24 1.1251 0.4906 0.6602 0.066 Uiso calc R 1 . .
C C25 1.4349(3) 0.1944(2) 0.61918(15) 0.0470(6) Uani d . 1 . .
C C26 1.4334(3) 0.0584(3) 0.60401(17) 0.0578(6) Uani d . 1 . .
H H26 1.3410 -0.0024 0.5761 0.069 Uiso calc R 1 . .
C C27 1.5670(3) 0.0121(3) 0.62980(19) 0.0703(8) Uani d . 1 . .
H H27 1.5640 -0.0788 0.6199 0.084 Uiso calc R 1 . .
C C28 1.7033(3) 0.1010(4) 0.6700(2) 0.0748(8) Uani d . 1 . .
H H28 1.7932 0.0703 0.6875 0.090 Uiso calc R 1 . .
C C29 1.7081(3) 0.2344(3) 0.68445(19) 0.0719(8) Uani d . 1 . .
H H29 1.8015 0.2940 0.7112 0.086 Uiso calc R 1 . .
C C30 1.5748(3) 0.2822(3) 0.65969(18) 0.0607(7) Uani d . 1 . .
H H30 1.5794 0.3734 0.6703 0.073 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'
S S 0.1246 0.1234 '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
C16 S1 C15 . . 99.92(10) ?
C1 O1 H1O . . 110(4) ?
C17 N1 N2 . . 120.93(18) ?
C17 N1 H1 . . 117.2(14) ?
N2 N1 H1 . . 121.8(14) ?
C18 N2 N1 . . 116.47(18) ?
O1 C1 C2 . . 120.5(2) ?
O1 C1 C6 . . 116.5(2) ?
C2 C1 C6 . . 122.98(19) ?
C3 C2 C1 . . 116.67(19) ?
C3 C2 C7 . . 121.2(2) ?
C1 C2 C7 . . 122.10(19) ?
C4 C3 C2 . . 122.6(2) ?
C4 C3 H3 . . 118.7 ?
C2 C3 H3 . . 118.7 ?
C5 C4 C3 . . 118.6(2) ?
C5 C4 C15 . . 120.1(2) ?
C3 C4 C15 . . 121.4(2) ?
C4 C5 C6 . . 122.6(2) ?
C4 C5 H5 . . 118.7 ?
C6 C5 H5 . . 118.7 ?
C5 C6 C1 . . 116.5(2) ?
C5 C6 C11 . . 121.18(19) ?
C1 C6 C11 . . 122.28(19) ?
C10 C7 C9 . . 106.5(2) ?
C10 C7 C2 . . 111.37(19) ?
C9 C7 C2 . . 110.51(19) ?
C10 C7 C8 . . 107.4(2) ?
C9 C7 C8 . . 110.5(2) ?
C2 C7 C8 . . 110.45(19) ?
C7 C8 H8A . . 109.5 ?
C7 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C7 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C7 C9 H9A . . 109.5 ?
C7 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C7 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C7 C10 H10A . . 109.5 ?
C7 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
C7 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C12 C11 C14 . . 107.5(2) ?
C12 C11 C6 . . 110.4(2) ?
C14 C11 C6 . . 111.31(19) ?
C12 C11 C13 . . 110.4(2) ?
C14 C11 C13 . . 106.5(2) ?
C6 C11 C13 . . 110.45(19) ?
C11 C12 H12A . . 109.5 ?
C11 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C11 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
C11 C13 H13A . . 109.5 ?
C11 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C11 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C11 C14 H14A . . 109.5 ?
C11 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C11 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C4 C15 S1 . . 109.84(15) ?
C4 C15 H15A . . 109.7 ?
S1 C15 H15A . . 109.7 ?
C4 C15 H15B . . 109.7 ?
S1 C15 H15B . . 109.7 ?
H15A C15 H15B . . 108.2 ?
C17 C16 S1 . . 109.61(14) ?
C17 C16 H16A . . 109.7 ?
S1 C16 H16A . . 109.7 ?
C17 C16 H16B . . 109.7 ?
S1 C16 H16B . . 109.7 ?
H16A C16 H16B . . 108.2 ?
O2 C17 N1 . . 121.11(19) ?
O2 C17 C16 . . 120.80(19) ?
N1 C17 C16 . . 118.04(19) ?
N2 C18 C19 . . 120.3(2) ?
N2 C18 H18 . . 119.8 ?
C19 C18 H18 . . 119.8 ?
C24 C19 C20 . . 117.8(2) ?
C24 C19 C18 . . 121.9(2) ?
C20 C19 C18 . . 120.2(2) ?
C21 C20 C19 . . 120.9(2) ?
C21 C20 H20 . . 119.5 ?
C19 C20 H20 . . 119.5 ?
C20 C21 C22 . . 121.5(2) ?
C20 C21 H21 . . 119.3 ?
C22 C21 H21 . . 119.3 ?
C21 C22 C23 . . 117.1(2) ?
C21 C22 C25 . . 121.8(2) ?
C23 C22 C25 . . 121.1(2) ?
C24 C23 C22 . . 121.6(2) ?
C24 C23 H23 . . 119.2 ?
C22 C23 H23 . . 119.2 ?
C23 C24 C19 . . 121.1(2) ?
C23 C24 H24 . . 119.5 ?
C19 C24 H24 . . 119.5 ?
C30 C25 C26 . . 118.0(2) ?
C30 C25 C22 . . 121.5(2) ?
C26 C25 C22 . . 120.6(2) ?
C27 C26 C25 . . 121.2(3) ?
C27 C26 H26 . . 119.4 ?
C25 C26 H26 . . 119.4 ?
C28 C27 C26 . . 119.6(3) ?
C28 C27 H27 . . 120.2 ?
C26 C27 H27 . . 120.2 ?
C29 C28 C27 . . 120.3(3) ?
C29 C28 H28 . . 119.8 ?
C27 C28 H28 . . 119.8 ?
C28 C29 C30 . . 120.6(3) ?
C28 C29 H29 . . 119.7 ?
C30 C29 H29 . . 119.7 ?
C25 C30 C29 . . 120.3(3) ?
C25 C30 H30 . . 119.9 ?
C29 C30 H30 . . 119.9 ?
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
S1 C16 . 1.804(2) ?
S1 C15 . 1.805(2) ?
O1 C1 . 1.379(3) ?
O1 H1O . 0.830(10) ?
O2 C17 . 1.230(2) ?
N1 C17 . 1.342(3) ?
N1 N2 . 1.371(2) ?
N1 H1 . 0.870(10) ?
N2 C18 . 1.271(3) ?
C1 C2 . 1.402(3) ?
C1 C6 . 1.402(3) ?
C2 C3 . 1.383(3) ?
C2 C7 . 1.539(3) ?
C3 C4 . 1.380(3) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.379(3) ?
C4 C15 . 1.508(3) ?
C5 C6 . 1.387(3) ?
C5 H5 . 0.9300 ?
C6 C11 . 1.534(3) ?
C7 C10 . 1.530(3) ?
C7 C9 . 1.540(3) ?
C7 C8 . 1.543(3) ?
C8 H8A . 0.9600 ?
C8 H8B . 0.9600 ?
C8 H8C . 0.9600 ?
C9 H9A . 0.9600 ?
C9 H9B . 0.9600 ?
C9 H9C . 0.9600 ?
C10 H10A . 0.9600 ?
C10 H10B . 0.9600 ?
C10 H10C . 0.9600 ?
C11 C12 . 1.535(3) ?
C11 C14 . 1.536(3) ?
C11 C13 . 1.535(3) ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C13 H13A . 0.9600 ?
C13 H13B . 0.9600 ?
C13 H13C . 0.9600 ?
C14 H14A . 0.9600 ?
C14 H14B . 0.9600 ?
C14 H14C . 0.9600 ?
C15 H15A . 0.9700 ?
C15 H15B . 0.9700 ?
C16 C17 . 1.500(3) ?
C16 H16A . 0.9700 ?
C16 H16B . 0.9700 ?
C18 C19 . 1.462(3) ?
C18 H18 . 0.9300 ?
C19 C24 . 1.386(3) ?
C19 C20 . 1.387(3) ?
C20 C21 . 1.383(3) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.387(3) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.392(3) ?
C22 C25 . 1.482(3) ?
C23 C24 . 1.375(3) ?
C23 H23 . 0.9300 ?
C24 H24 . 0.9300 ?
C25 C30 . 1.387(3) ?
C25 C26 . 1.394(3) ?
C26 C27 . 1.385(3) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.367(4) ?
C27 H27 . 0.9300 ?
C28 C29 . 1.363(4) ?
C28 H28 . 0.9300 ?
C29 C30 . 1.388(3) ?
C29 H29 . 0.9300 ?
C30 H30 . 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
_geom_hbond_publ_flag
N1 H1 O2 2_666 0.870(10) 1.970(10) 2.827(2) 174(2) yes
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 24744569
