#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/07/7050748.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7050748
loop_
_publ_author_name
'Bensemann, Igor'
'Gdaniec, Maria'
'Połoński, Tadeusz'
_publ_section_title
;
 Supramolecular structures formed by 2-aminopyridine derivatives.
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              448
_journal_paper_doi               10.1039/b108861k
_journal_volume                  26
_journal_year                    2002
_chemical_formula_sum            'C22 H18 N4 O'
_chemical_formula_weight         354.40
_chemical_melting_point          143.5(5)
_chemical_name_systematic
; 
N,N'-Bis(2-pyridyl) -4,4'-oxybis(aminobenzene), polymorph alphafrom ethyl 
acetate 
;
_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                79.732(4)
_cell_angle_beta                 89.713(4)
_cell_angle_gamma                72.535(5)
_cell_formula_units_Z            4
_cell_length_a                   9.6437(5)
_cell_length_b                   11.8742(6)
_cell_length_c                   17.1611(8)
_cell_measurement_reflns_used    3899
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     1842.06(17)
_computing_cell_refinement       'KM4RED, Version 1.157a, 1999'
_computing_data_collection       'KM4CCD, Version 1.157a, 1999'
_computing_data_reduction        'KM4RED, Version 1.157a, 1999'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'KumaCCD diffractometer'
_diffrn_measurement_method       'ο scan'
_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  0.0222
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15254
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         4.15
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 50
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.177
_refine_diff_density_min         -0.208
_refine_diff_density_rms         0.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    'C-H riding model, N-H refall'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         7401
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0856P)²+0.0374P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1343
_refine_ls_wR_factor_ref         0.1500
_reflns_number_gt                5285
_reflns_number_total             7401
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b108861k.txt
_cod_data_source_block           6a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '143-144' was changed to '143.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_cell_volume        1842.06(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7050748
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1A N 1.18438(16) 0.15727(13) 0.41450(10) 0.0597(4) Uani 1 1 d . . .
C2A C 1.10109(17) 0.27254(15) 0.40480(10) 0.0478(4) Uani 1 1 d . . .
C3A C 1.1257(2) 0.35042(17) 0.45109(11) 0.0592(5) Uani 1 1 d . . .
H3A H 1.0639 0.4321 0.4437 0.071 Uiso 1 1 d R . .
C4A C 1.2393(3) 0.3092(2) 0.50670(13) 0.0756(6) Uani 1 1 d . . .
H4A H 1.2574 0.3614 0.5395 0.091 Uiso 1 1 d R . .
C5A C 1.3253(3) 0.1912(2) 0.51663(15) 0.0881(7) Uani 1 1 d . . .
H5A H 1.4079 0.1606 0.5538 0.106 Uiso 1 1 d R . .
C6A C 1.2923(2) 0.1200(2) 0.47021(14) 0.0769(6) Uani 1 1 d . . .
H6A H 1.3501 0.0371 0.4785 0.092 Uiso 1 1 d R . .
N7A N 0.98925(15) 0.30209(13) 0.34862(9) 0.0515(4) Uani 1 1 d . . .
H7A H 0.963(2) 0.2382(18) 0.3341(12) 0.062(5) Uiso 1 1 d . . .
C8A C 0.90374(16) 0.41617(14) 0.31095(10) 0.0443(4) Uani 1 1 d . . .
C9A C 0.76489(19) 0.42938(17) 0.28131(12) 0.0610(5) Uani 1 1 d . . .
H9A H 0.7275 0.3621 0.2915 0.073 Uiso 1 1 d R . .
C10A C 0.68043(18) 0.53692(17) 0.23777(12) 0.0612(5) Uani 1 1 d . . .
H10A H 0.5856 0.5440 0.2166 0.073 Uiso 1 1 d R . .
C11A C 0.73217(17) 0.63386(15) 0.22459(10) 0.0480(4) Uani 1 1 d . . .
C12A C 0.86950(19) 0.62270(15) 0.25280(11) 0.0552(4) Uani 1 1 d . . .
H12A H 0.9063 0.6903 0.2425 0.066 Uiso 1 1 d R . .
C13A C 0.95546(18) 0.51424(15) 0.29552(11) 0.0512(4) Uani 1 1 d . . .
H13A H 1.0514 0.5068 0.3152 0.061 Uiso 1 1 d R . .
O14A O 0.65070(12) 0.74193(10) 0.17709(7) 0.0563(3) Uani 1 1 d . . .
C15A C 0.52424(17) 0.80686(14) 0.20740(9) 0.0445(4) Uani 1 1 d . . .
C16A C 0.4127(2) 0.87414(16) 0.15291(10) 0.0601(5) Uani 1 1 d . . .
H16A H 0.4235 0.8707 0.0977 0.072 Uiso 1 1 d R . .
C17A C 0.2860(2) 0.94712(17) 0.17766(11) 0.0651(5) Uani 1 1 d . . .
H17A H 0.2093 0.9949 0.1394 0.078 Uiso 1 1 d R . .
C18A C 0.26877(18) 0.95127(14) 0.25723(10) 0.0474(4) Uani 1 1 d . . .
C19A C 0.38118(17) 0.88155(15) 0.31130(10) 0.0482(4) Uani 1 1 d . . .
H19A H 0.3693 0.8825 0.3668 0.058 Uiso 1 1 d R . .
C20A C 0.50868(17) 0.80959(15) 0.28686(10) 0.0504(4) Uani 1 1 d . . .
H20A H 0.5863 0.7630 0.3250 0.061 Uiso 1 1 d R . .
N21A N 0.14119(15) 1.02647(14) 0.28444(10) 0.0549(4) Uani 1 1 d . . .
H21A H 0.156(2) 1.0673(17) 0.3223(12) 0.062(5) Uiso 1 1 d . . .
C22A C 0.00242(18) 1.02406(14) 0.27114(10) 0.0470(4) Uani 1 1 d . . .
N23A N -0.10002(15) 1.10335(13) 0.30342(9) 0.0563(4) Uani 1 1 d . . .
C24A C -0.2383(2) 1.10226(19) 0.29541(13) 0.0691(6) Uani 1 1 d . . .
H24A H -0.3111 1.1598 0.3185 0.083 Uiso 1 1 d R . .
C25A C -0.2818(2) 1.02736(19) 0.25689(13) 0.0699(5) Uani 1 1 d . . .
H25A H -0.3819 1.0294 0.2536 0.084 Uiso 1 1 d R . .
C26A C -0.1764(2) 0.94860(17) 0.22293(13) 0.0691(6) Uani 1 1 d . . .
H26A H -0.2019 0.8951 0.1939 0.083 Uiso 1 1 d R . .
C27A C -0.0337(2) 0.94541(16) 0.22915(12) 0.0612(5) Uani 1 1 d . . .
H27A H 0.0407 0.8897 0.2058 0.073 Uiso 1 1 d R . .
N1B N 1.37627(16) 0.65079(13) 0.48978(8) 0.0556(4) Uani 1 1 d . . .
C2B C 1.30060(17) 0.63476(14) 0.42942(9) 0.0455(4) Uani 1 1 d . . .
C3B C 1.15960(18) 0.70832(16) 0.40593(10) 0.0517(4) Uani 1 1 d . . .
H3B H 1.1060 0.6910 0.3650 0.062 Uiso 1 1 d R . .
C4B C 1.0991(2) 0.80380(17) 0.44249(11) 0.0591(5) Uani 1 1 d . . .
H4B H 1.0030 0.8568 0.4263 0.071 Uiso 1 1 d R . .
C5B C 1.1771(2) 0.82446(18) 0.50220(11) 0.0654(5) Uani 1 1 d . . .
H5B H 1.1388 0.8922 0.5277 0.078 Uiso 1 1 d R . .
C6B C 1.3124(2) 0.74501(18) 0.52412(11) 0.0659(5) Uani 1 1 d . . .
H6B H 1.3653 0.7572 0.5675 0.079 Uiso 1 1 d R . .
N7B N 1.37135(17) 0.53837(13) 0.39470(9) 0.0526(4) Uani 1 1 d . . .
H7B H 1.445(2) 0.4876(17) 0.4231(12) 0.065(6) Uiso 1 1 d . . .
C8B C 1.33937(16) 0.52124(14) 0.31871(10) 0.0442(4) Uani 1 1 d . . .
C9B C 1.36607(17) 0.40565(15) 0.30342(10) 0.0498(4) Uani 1 1 d . . .
H9B H 1.4038 0.3381 0.3457 0.060 Uiso 1 1 d R . .
C10B C 1.33931(19) 0.38647(15) 0.22832(11) 0.0530(4) Uani 1 1 d . . .
H10B H 1.3618 0.3063 0.2179 0.064 Uiso 1 1 d R . .
C11B C 1.28017(17) 0.48340(15) 0.16770(9) 0.0464(4) Uani 1 1 d . . .
C12B C 1.25440(17) 0.59879(14) 0.18131(10) 0.0457(4) Uani 1 1 d . . .
H12B H 1.2144 0.6658 0.1390 0.055 Uiso 1 1 d R . .
C13B C 1.28538(17) 0.61767(14) 0.25589(10) 0.0458(4) Uani 1 1 d . . .
H13B H 1.2702 0.6980 0.2648 0.055 Uiso 1 1 d R . .
O14B O 1.25629(14) 0.47105(11) 0.09022(7) 0.0571(3) Uani 1 1 d . . .
C15B C 1.17944(17) 0.39424(14) 0.07488(9) 0.0452(4) Uani 1 1 d . . .
C16B C 1.19826(19) 0.35908(16) 0.00223(10) 0.0524(4) Uani 1 1 d . . .
H16B H 1.2629 0.3862 -0.0339 0.063 Uiso 1 1 d R . .
C17B C 1.12366(19) 0.28604(16) -0.01874(10) 0.0536(4) Uani 1 1 d . . .
H17B H 1.1364 0.2616 -0.0694 0.064 Uiso 1 1 d R . .
C18B C 1.03060(17) 0.24503(14) 0.03261(10) 0.0457(4) Uani 1 1 d . . .
C19B C 1.0132(2) 0.28108(16) 0.10552(10) 0.0546(4) Uani 1 1 d . . .
H19B H 0.9491 0.2537 0.1419 0.066 Uiso 1 1 d R . .
C20B C 1.0854(2) 0.35660(17) 0.12616(10) 0.0559(4) Uani 1 1 d . . .
H20B H 1.0713 0.3821 0.1764 0.067 Uiso 1 1 d R . .
N21B N 0.96388(17) 0.16276(14) 0.01086(10) 0.0566(4) Uani 1 1 d . . .
H21B H 1.025(2) 0.0970(19) -0.0027(12) 0.067(6) Uiso 1 1 d . . .
C22B C 0.82744(18) 0.15767(15) 0.02960(9) 0.0473(4) Uani 1 1 d . . .
N23B N 0.80418(15) 0.05226(13) 0.02918(8) 0.0515(4) Uani 1 1 d . . .
C24B C 0.6706(2) 0.04396(18) 0.04626(11) 0.0588(5) Uani 1 1 d . . .
H24B H 0.6540 -0.0316 0.0453 0.071 Uiso 1 1 d R . .
C25B C 0.5577(2) 0.1363(2) 0.06340(12) 0.0647(5) Uani 1 1 d . . .
H25B H 0.4651 0.1253 0.0762 0.078 Uiso 1 1 d R . .
C26B C 0.5822(2) 0.2457(2) 0.06187(12) 0.0673(5) Uani 1 1 d . . .
H26B H 0.5053 0.3130 0.0729 0.081 Uiso 1 1 d R . .
C27B C 0.7166(2) 0.25758(17) 0.04499(12) 0.0599(5) Uani 1 1 d . . .
H27B H 0.7354 0.3329 0.0435 0.072 Uiso 1 1 d R . .
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6A N1A C2A 117.43(16) . . y
N1A C2A N7A 113.63(15) . . y
N1A C2A C3A 121.59(16) . . y
N7A C2A C3A 124.72(16) . . y
C4A C3A C2A 119.17(18) . . y
C3A C4A C5A 119.4(2) . . y
C6A C5A C4A 117.9(2) . . y
N1A C6A C5A 124.5(2) . . y
C2A N7A C8A 128.64(15) . . y
C13A C8A C9A 118.20(15) . . y
C13A C8A N7A 123.00(14) . . y
C9A C8A N7A 118.54(15) . . y
C10A C9A C8A 121.19(16) . . y
C11A C10A C9A 119.79(16) . . y
C10A C11A C12A 120.04(15) . . y
C10A C11A O14A 120.42(15) . . y
C12A C11A O14A 119.35(15) . . y
C11A C12A C13A 120.28(16) . . y
C12A C13A C8A 120.47(15) . . y
C15A O14A C11A 117.03(12) . . y
C20A C15A C16A 120.15(15) . . y
C20A C15A O14A 123.45(14) . . y
C16A C15A O14A 116.36(14) . . y
C15A C16A C17A 120.10(16) . . y
C18A C17A C16A 120.50(15) . . y
C17A C18A C19A 118.58(15) . . y
C17A C18A N21A 121.89(14) . . y
C19A C18A N21A 119.51(15) . . y
C20A C19A C18A 121.20(15) . . y
C15A C20A C19A 119.45(14) . . y
C22A N21A C18A 125.45(15) . . y
N23A C22A N21A 114.35(15) . . y
N23A C22A C27A 121.13(16) . . y
N21A C22A C27A 124.51(16) . . y
C22A N23A C24A 117.40(16) . . y
N23A C24A C25A 125.00(19) . . y
C24A C25A C26A 116.89(19) . . y
C25A C26A C27A 120.77(18) . . y
C26A C27A C22A 118.79(18) . . y
C6B N1B C2B 116.73(15) . . y
N1B C2B N7B 114.88(14) . . y
N1B C2B C3B 121.98(15) . . y
N7B C2B C3B 123.10(15) . . y
C4B C3B C2B 119.14(17) . . y
C3B C4B C5B 119.62(17) . . y
C6B C5B C4B 117.62(18) . . y
N1B C6B C5B 124.78(18) . . y
C2B N7B C8B 126.35(14) . . y
C9B C8B C13B 117.94(15) . . y
C9B C8B N7B 120.13(15) . . y
C13B C8B N7B 121.90(14) . . y
C10B C9B C8B 121.15(15) . . y
C11B C10B C9B 119.95(15) . . y
C12B C11B C10B 119.81(15) . . y
C12B C11B O14B 116.88(15) . . y
C10B C11B O14B 123.06(15) . . y
C11B C12B C13B 120.07(15) . . y
C12B C13B C8B 120.99(15) . . y
C11B O14B C15B 120.30(12) . . y
C20B C15B C16B 119.91(15) . . y
C20B C15B O14B 123.98(14) . . y
C16B C15B O14B 116.07(14) . . y
C17B C16B C15B 120.00(16) . . y
C16B C17B C18B 121.08(15) . . y
C17B C18B C19B 118.15(15) . . y
C17B C18B N21B 119.16(15) . . y
C19B C18B N21B 122.59(15) . . y
C20B C19B C18B 121.00(16) . . y
C15B C20B C19B 119.83(15) . . y
C22B N21B C18B 125.61(15) . . y
N23B C22B N21B 115.72(15) . . y
N23B C22B C27B 121.72(16) . . y
N21B C22B C27B 122.50(16) . . y
C22B N23B C24B 117.59(15) . . y
N23B C24B C25B 124.24(18) . . y
C24B C25B C26B 117.58(18) . . y
C27B C26B C25B 119.88(18) . . y
C26B C27B C22B 118.95(18) . . y
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1A C6A 1.333(2) . y
N1A C2A 1.344(2) . y
C2A N7A 1.371(2) . y
C2A C3A 1.392(2) . y
C3A C4A 1.368(3) . y
C4A C5A 1.378(3) . y
C5A C6A 1.362(3) . y
N7A C8A 1.398(2) . y
C8A C13A 1.383(2) . y
C8A C9A 1.389(2) . y
C9A C10A 1.376(3) . y
C10A C11A 1.370(2) . y
C11A C12A 1.373(2) . y
C11A O14A 1.3989(19) . y
C12A C13A 1.383(2) . y
O14A C15A 1.3873(18) . y
C15A C20A 1.376(2) . y
C15A C16A 1.378(2) . y
C16A C17A 1.383(2) . y
C17A C18A 1.383(2) . y
C18A C19A 1.385(2) . y
C18A N21A 1.419(2) . y
C19A C20A 1.382(2) . y
N21A C22A 1.368(2) . y
C22A N23A 1.338(2) . y
C22A C27A 1.397(2) . y
N23A C24A 1.346(2) . y
C24A C25A 1.356(3) . y
C25A C26A 1.366(3) . y
C26A C27A 1.369(3) . y
N1B C6B 1.340(2) . y
N1B C2B 1.343(2) . y
C2B N7B 1.379(2) . y
C2B C3B 1.393(2) . y
C3B C4B 1.368(2) . y
C4B C5B 1.373(3) . y
C5B C6B 1.369(3) . y
N7B C8B 1.405(2) . y
C8B C9B 1.391(2) . y
C8B C13B 1.397(2) . y
C9B C10B 1.387(2) . y
C10B C11B 1.385(2) . y
C11B C12B 1.379(2) . y
C11B O14B 1.3912(19) . y
C12B C13B 1.387(2) . y
O14B C15B 1.3940(19) . y
C15B C20B 1.376(2) . y
C15B C16B 1.378(2) . y
C16B C17B 1.374(2) . y
C17B C18B 1.386(2) . y
C18B C19B 1.387(2) . y
C18B N21B 1.420(2) . y
C19B C20B 1.380(2) . y
N21B C22B 1.369(2) . y
C22B N23B 1.337(2) . y
C22B C27B 1.403(2) . y
N23B C24B 1.348(2) . y
C24B C25B 1.367(3) . y
C25B C26B 1.384(3) . y
C26B C27B 1.369(3) . y
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2A N7A C8A C9A -154.67(18) . . . . y
C2A N7A C8A C13A 31.3(3) . . . . y
C3A C2A N7A C8A 18.6(3) . . . . y
N1A C2A N7A C8A -164.13(16) . . . . y
N23A C22A N21A C18A 179.53(15) . . . . y
C27A C22A N21A C18A 0.8(3) . . . . y
C22A N21A C18A C19A -124.06(19) . . . . y
C22A N21A C18A C17A 57.3(3) . . . . y
C2B N7B C8B C9B -150.32(17) . . . . y
C2B N7B C8B C13B 32.0(3) . . . . y
C3B C2B N7B C8B 22.0(3) . . . . y
N1B C2B N7B C8B -159.93(16) . . . . y
N23B C22B N21B C18B -157.15(16) . . . . y
C27B C22B N21B C18B 25.5(3) . . . . y
C22B N21B C18B C19B 37.7(3) . . . . y
C22B N21B C18B C17B -146.18(18) . . . . y
C10A C11A O14A C15A 69.8(2) . . . . y
C12A C11A O14A C15A -115.30(18) . . . . y
C11A O14A C15A C16A -149.05(16) . . . . y
C11A O14A C15A C20A 33.2(2) . . . . y
C10B C11B O14B C15B 51.8(2) . . . . y
C12B C11B O14B C15B -133.95(16) . . . . y
C11B O14B C15B C16B -160.85(15) . . . . y
C11B O14B C15B C20B 21.3(2) . . . . y
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30652846
