#------------------------------------------------------------------------------
#$Date: 2025-08-22 12:33:34 +0200 (Fri 22 de Aug de 2025) $
#$Revision: 301861 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/16/7151695.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_7151695
loop_
_publ_author_name
'Wu, Hung-Chou'
'Hwang, Long-Chih'
'Wu, Ming-Jung'
_publ_section_title
;
 A copper-mediated cyclization reaction of hydrazine with enediynones
 providing pyrazolo[1,5-a]pyridines.
;
_journal_issue                   3
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              670
_journal_page_last               672
_journal_paper_doi               10.1039/C0OB00756K
_journal_volume                  9
_journal_year                    2011
_chemical_formula_moiety         'C20 H16 N2 O'
_chemical_formula_sum            'C20 H16 N2 O'
_chemical_formula_weight         300.35
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.320(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   23.0916(13)
_cell_length_b                   7.3204(4)
_cell_length_c                   38.0041(18)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     6371.8(6)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            21286
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  0.9914
_exptl_absorpt_correction_T_min  0.9777
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'pale brown'
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.174
_refine_diff_density_min         -0.303
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5605
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0894P)²+1.2697P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1535
_reflns_number_gt                4085
_reflns_number_total             5605
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0OB00756K.TXT
_cod_data_source_block           a8674
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7151695
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
C1 C 0.38709(15) 0.2802(4) 0.13636(6) 0.0877(9) Uani 1 1 d . . .
H1A H 0.3855 0.1519 0.1311 0.132 Uiso 1 1 calc R . .
H1B H 0.4076 0.3424 0.1194 0.132 Uiso 1 1 calc R . .
H1C H 0.3481 0.3278 0.1351 0.132 Uiso 1 1 calc R . .
C2 C 0.42269(9) 0.4844(3) 0.18259(5) 0.0495(5) Uani 1 1 d . . .
C3 C 0.43921(11) 0.6264(4) 0.16168(6) 0.0673(7) Uani 1 1 d . . .
H3 H 0.4445 0.6054 0.1382 0.081 Uiso 1 1 calc R . .
C4 C 0.44772(12) 0.7990(4) 0.17613(7) 0.0764(8) Uani 1 1 d . . .
H4 H 0.4587 0.8942 0.1622 0.092 Uiso 1 1 calc R . .
C5 C 0.44010(12) 0.8315(3) 0.21081(7) 0.0745(7) Uani 1 1 d . . .
H5 H 0.4452 0.9487 0.2201 0.089 Uiso 1 1 calc R . .
C6 C 0.42488(10) 0.6902(3) 0.23181(6) 0.0590(6) Uani 1 1 d . . .
H6 H 0.4207 0.7123 0.2555 0.071 Uiso 1 1 calc R . .
C7 C 0.41564(9) 0.5151(3) 0.21804(5) 0.0450(5) Uani 1 1 d . . .
C8 C 0.40164(9) 0.3642(3) 0.24133(5) 0.0424(5) Uani 1 1 d . . .
C9 C 0.43635(9) 0.3124(3) 0.27116(5) 0.0508(5) Uani 1 1 d . . .
H9 H 0.4712 0.3743 0.2777 0.061 Uiso 1 1 calc R . .
C10 C 0.42113(11) 0.1681(3) 0.29244(5) 0.0581(6) Uani 1 1 d . . .
H10 H 0.4460 0.1356 0.3127 0.070 Uiso 1 1 calc R . .
C11 C 0.37079(11) 0.0763(3) 0.28382(5) 0.0595(6) Uani 1 1 d . . .
H11 H 0.3611 -0.0202 0.2979 0.071 Uiso 1 1 calc R . .
C12 C 0.33293(10) 0.1272(3) 0.25338(5) 0.0485(5) Uani 1 1 d . . .
C13 C 0.27849(10) 0.0758(3) 0.23677(5) 0.0536(6) Uani 1 1 d . . .
H13 H 0.2549 -0.0171 0.2437 0.064 Uiso 1 1 calc R . .
C14 C 0.26626(9) 0.1905(2) 0.20775(5) 0.0427(5) Uani 1 1 d . . .
C15 C 0.21270(9) 0.2002(2) 0.18203(5) 0.0422(5) Uani 1 1 d . . .
C16 C 0.16426(10) 0.0958(3) 0.18625(5) 0.0544(5) Uani 1 1 d . . .
H16 H 0.1660 0.0126 0.2048 0.065 Uiso 1 1 calc R . .
C17 C 0.11329(10) 0.1135(3) 0.16325(6) 0.0614(6) Uani 1 1 d . . .
H17 H 0.0810 0.0423 0.1664 0.074 Uiso 1 1 calc R . .
C18 C 0.11021(10) 0.2364(3) 0.13569(6) 0.0593(6) Uani 1 1 d . . .
H18 H 0.0756 0.2504 0.1205 0.071 Uiso 1 1 calc R . .
C19 C 0.15817(10) 0.3379(3) 0.13072(6) 0.0575(6) Uani 1 1 d . . .
H19 H 0.1563 0.4195 0.1119 0.069 Uiso 1 1 calc R . .
C20 C 0.20937(10) 0.3202(3) 0.15346(5) 0.0514(5) Uani 1 1 d . . .
H20 H 0.2419 0.3890 0.1497 0.062 Uiso 1 1 calc R . .
C21 C 0.28532(12) 0.7649(3) 0.15408(5) 0.0686(7) Uani 1 1 d . . .
H21A H 0.3148 0.7062 0.1703 0.103 Uiso 1 1 calc R . .
H21B H 0.2481 0.7521 0.1626 0.103 Uiso 1 1 calc R . .
H21C H 0.2945 0.8922 0.1523 0.103 Uiso 1 1 calc R . .
C22 C 0.24324(9) 0.7478(2) 0.09347(5) 0.0417(5) Uani 1 1 d . . .
C23 C 0.20544(10) 0.8905(3) 0.09734(5) 0.0496(5) Uani 1 1 d . . .
H23 H 0.2070 0.9510 0.1190 0.060 Uiso 1 1 calc R . .
C24 C 0.16537(10) 0.9432(3) 0.06912(5) 0.0525(5) Uani 1 1 d . . .
H24 H 0.1397 1.0383 0.0720 0.063 Uiso 1 1 calc R . .
C25 C 0.16277(9) 0.8581(3) 0.03683(5) 0.0511(5) Uani 1 1 d . . .
H25 H 0.1360 0.8960 0.0179 0.061 Uiso 1 1 calc R . .
C26 C 0.20018(9) 0.7162(3) 0.03291(5) 0.0456(5) Uani 1 1 d . . .
H26 H 0.1981 0.6567 0.0112 0.055 Uiso 1 1 calc R . .
C27 C 0.24108(9) 0.6596(2) 0.06079(5) 0.0398(4) Uani 1 1 d . . .
C28 C 0.27783(9) 0.4984(2) 0.05555(5) 0.0430(5) Uani 1 1 d . . .
C29 C 0.25577(11) 0.3268(3) 0.05070(5) 0.0545(5) Uani 1 1 d . . .
H29 H 0.2162 0.3075 0.0518 0.065 Uiso 1 1 calc R . .
C30 C 0.29133(13) 0.1772(3) 0.04409(5) 0.0617(6) Uani 1 1 d . . .
H30 H 0.2752 0.0608 0.0415 0.074 Uiso 1 1 calc R . .
C31 C 0.34899(12) 0.2018(3) 0.04143(5) 0.0563(6) Uani 1 1 d . . .
H31 H 0.3721 0.1035 0.0365 0.068 Uiso 1 1 calc R . .
C32 C 0.37321(10) 0.3775(3) 0.04627(5) 0.0482(5) Uani 1 1 d . . .
C33 C 0.42734(10) 0.4544(3) 0.04626(5) 0.0543(6) Uani 1 1 d . . .
H33 H 0.4615 0.3952 0.0421 0.065 Uiso 1 1 calc R . .
C34 C 0.42094(9) 0.6391(3) 0.05371(5) 0.0479(5) Uani 1 1 d . . .
C35 C 0.46606(10) 0.7813(3) 0.05732(5) 0.0549(6) Uani 1 1 d . . .
C36 C 0.51380(12) 0.7705(5) 0.03825(7) 0.0825(8) Uani 1 1 d . . .
H36 H 0.5170 0.6725 0.0230 0.099 Uiso 1 1 calc R . .
C37 C 0.55612(14) 0.9035(6) 0.04175(9) 0.1034(11) Uani 1 1 d . . .
H37 H 0.5874 0.8952 0.0286 0.124 Uiso 1 1 calc R . .
C38 C 0.55295(14) 1.0469(5) 0.06409(10) 0.0980(11) Uani 1 1 d . . .
H38 H 0.5818 1.1365 0.0661 0.118 Uiso 1 1 calc R . .
C39 C 0.50673(13) 1.0592(4) 0.08378(8) 0.0837(8) Uani 1 1 d . . .
H39 H 0.5047 1.1561 0.0994 0.100 Uiso 1 1 calc R . .
C40 C 0.46333(10) 0.9269(3) 0.08027(6) 0.0604(6) Uani 1 1 d . . .
H40 H 0.4322 0.9362 0.0934 0.072 Uiso 1 1 calc R . .
N1 N 0.35009(7) 0.2710(2) 0.23302(4) 0.0402(4) Uani 1 1 d . . .
N2 N 0.30925(7) 0.3114(2) 0.20525(4) 0.0414(4) Uani 1 1 d . . .
N3 N 0.33707(7) 0.5205(2) 0.05373(4) 0.0413(4) Uani 1 1 d . . .
N4 N 0.36578(7) 0.6821(2) 0.05815(4) 0.0452(4) Uani 1 1 d . . .
O1 O 0.41671(7) 0.3075(2) 0.17094(3) 0.0610(4) Uani 1 1 d . . .
O2 O 0.28306(7) 0.68215(18) 0.12003(3) 0.0534(4) Uani 1 1 d . . .
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
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 123.06(19) . . ?
O1 C2 C7 116.43(17) . . ?
C3 C2 C7 120.3(2) . . ?
C4 C3 C2 119.5(2) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C5 C4 C3 120.7(2) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 119.9(2) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C7 120.8(2) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C6 C7 C2 118.73(18) . . ?
C6 C7 C8 119.92(17) . . ?
C2 C7 C8 121.28(18) . . ?
C9 C8 N1 117.12(17) . . ?
C9 C8 C7 123.98(19) . . ?
N1 C8 C7 118.90(16) . . ?
C8 C9 C10 121.9(2) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 H9 119.1 . . ?
C11 C10 C9 120.52(19) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 119.59(19) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C13 C12 N1 104.96(16) . . ?
C13 C12 C11 137.3(2) . . ?
N1 C12 C11 117.73(19) . . ?
C12 C13 C14 106.19(18) . . ?
C12 C13 H13 126.9 . . ?
C14 C13 H13 126.9 . . ?
N2 C14 C13 112.23(18) . . ?
N2 C14 C15 119.07(16) . . ?
C13 C14 C15 128.60(18) . . ?
C16 C15 C20 118.37(19) . . ?
C16 C15 C14 121.26(17) . . ?
C20 C15 C14 120.33(18) . . ?
C17 C16 C15 120.9(2) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C18 C17 C16 120.0(2) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 C17 119.8(2) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C19 C20 120.5(2) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C19 C20 C15 120.4(2) . . ?
C19 C20 H20 119.8 . . ?
C15 C20 H20 119.8 . . ?
O2 C21 H21A 109.5 . . ?
O2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O2 C22 C23 124.31(16) . . ?
O2 C22 C27 116.12(16) . . ?
C23 C22 C27 119.55(17) . . ?
C24 C23 C22 119.98(18) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C25 C24 C23 121.14(19) . . ?
C25 C24 H24 119.4 . . ?
C23 C24 H24 119.4 . . ?
C24 C25 C26 119.04(19) . . ?
C24 C25 H25 120.5 . . ?
C26 C25 H25 120.5 . . ?
C25 C26 C27 121.29(17) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C26 C27 C22 118.99(17) . . ?
C26 C27 C28 118.69(16) . . ?
C22 C27 C28 122.15(17) . . ?
C29 C28 N3 117.11(18) . . ?
C29 C28 C27 122.9(2) . . ?
N3 C28 C27 119.92(16) . . ?
C28 C29 C30 121.7(2) . . ?
C28 C29 H29 119.2 . . ?
C30 C29 H29 119.2 . . ?
C31 C30 C29 120.5(2) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C30 C31 C32 119.2(2) . . ?
C30 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
C33 C32 N3 105.19(18) . . ?
C33 C32 C31 136.3(2) . . ?
N3 C32 C31 118.5(2) . . ?
C32 C33 C34 106.14(19) . . ?
C32 C33 H33 126.9 . . ?
C34 C33 H33 126.9 . . ?
N4 C34 C33 112.3(2) . . ?
N4 C34 C35 119.69(19) . . ?
C33 C34 C35 128.0(2) . . ?
C40 C35 C36 118.2(2) . . ?
C40 C35 C34 121.1(2) . . ?
C36 C35 C34 120.6(2) . . ?
C37 C36 C35 120.5(3) . . ?
C37 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C38 C37 C36 120.9(3) . . ?
C38 C37 H37 119.5 . . ?
C36 C37 H37 119.5 . . ?
C37 C38 C39 119.7(3) . . ?
C37 C38 H38 120.2 . . ?
C39 C38 H38 120.1 . . ?
C38 C39 C40 120.0(3) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C35 C40 C39 120.5(3) . . ?
C35 C40 H40 119.7 . . ?
C39 C40 H40 119.7 . . ?
N2 N1 C8 124.58(15) . . ?
N2 N1 C12 112.22(16) . . ?
C8 N1 C12 123.16(16) . . ?
C14 N2 N1 104.39(14) . . ?
N4 N3 C28 124.39(15) . . ?
N4 N3 C32 112.67(17) . . ?
C28 N3 C32 122.93(17) . . ?
C34 N4 N3 103.66(16) . . ?
C2 O1 C1 116.75(17) . . ?
C22 O2 C21 117.78(16) . . ?
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
C1 O1 1.416(3) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 O1 1.370(2) . ?
C2 C3 1.391(3) . ?
C2 C7 1.395(3) . ?
C3 C4 1.382(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.373(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.379(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.391(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.477(3) . ?
C8 C9 1.356(3) . ?
C8 N1 1.373(2) . ?
C9 C10 1.402(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.347(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.408(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.385(3) . ?
C12 N1 1.394(2) . ?
C13 C14 1.386(3) . ?
C13 H13 0.9300 . ?
C14 N2 1.342(2) . ?
C14 C15 1.477(3) . ?
C15 C16 1.380(3) . ?
C15 C20 1.391(3) . ?
C16 C17 1.380(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.376(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.366(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.379(3) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 O2 1.423(2) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 O2 1.363(2) . ?
C22 C23 1.381(3) . ?
C22 C27 1.395(2) . ?
C23 C24 1.379(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.371(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.371(3) . ?
C25 H25 0.9300 . ?
C26 C27 1.390(3) . ?
C26 H26 0.9300 . ?
C27 C28 1.482(3) . ?
C28 C29 1.359(3) . ?
C28 N3 1.388(3) . ?
C29 C30 1.410(3) . ?
C29 H29 0.9300 . ?
C30 C31 1.360(3) . ?
C30 H30 0.9300 . ?
C31 C32 1.405(3) . ?
C31 H31 0.9300 . ?
C32 C33 1.371(3) . ?
C32 N3 1.390(2) . ?
C33 C34 1.393(3) . ?
C33 H33 0.9300 . ?
C34 N4 1.343(3) . ?
C34 C35 1.467(3) . ?
C35 C40 1.383(3) . ?
C35 C36 1.397(3) . ?
C36 C37 1.374(4) . ?
C36 H36 0.9300 . ?
C37 C38 1.358(5) . ?
C37 H37 0.9300 . ?
C38 C39 1.382(5) . ?
C38 H38 0.9300 . ?
C39 C40 1.388(3) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
N1 N2 1.355(2) . ?
N3 N4 1.356(2) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139190580
