#------------------------------------------------------------------------------
#$Date: 2025-08-22 10:56:18 +0200 (Fri 22 de Aug de 2025) $
#$Revision: 301860 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/74/7127471.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_7127471
loop_
_publ_author_name
'Tang, Bo-Cheng'
'He, Cai'
'Chen, Xiang-Long'
'Ma, Jin-Tian'
'Wang, Miao'
'Wu, Yan-Dong'
'Wu, An-Xin'
_publ_section_title
;
 Palladium catalyzed annulation of 2-iodobiphenyl with a non-terminal
 alkene enabled by neighboring group assistance.
;
_journal_issue                   1
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              121
_journal_page_last               124
_journal_paper_doi               10.1039/d0cc07133a
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C27 H17 F O2'
_chemical_formula_sum            'C27 H17 F O2'
_chemical_formula_weight         392.40
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2019-09-26
_audit_creation_method
; 
Olex2 1.2 
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) 
;
_audit_update_record
;
2020-08-24 deposited with the CCDC.	2020-11-23 downloaded from the CCDC.
;
_cell_angle_alpha                95.856(2)
_cell_angle_beta                 112.392(2)
_cell_angle_gamma                103.122(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1584(13)
_cell_length_b                   10.6273(15)
_cell_length_c                   11.0747(16)
_cell_measurement_reflns_used    6488
_cell_measurement_temperature    210(2)
_cell_measurement_theta_max      31.73
_cell_measurement_theta_min      2.49
_cell_volume                     949.1(2)
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      210(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0218
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6806
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         2.012
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.092
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6585
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2008/1 (Bruker,2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_description       block
_exptl_crystal_F_000             408
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.233
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       0.056(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         3491
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0409
_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)+(0.0706P)²+0.2617P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
_refine_ls_wR_factor_ref         0.1289
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3053
_reflns_number_total             3491
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc07133a2.cif
_cod_data_source_block           mo_190926b_0m
_cod_depositor_comments          'Adding full bibliography for 7127471.cif.'
_cod_database_code               7127471
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_max   0.991
_shelx_estimated_absorpt_t_min   0.989
_olex2_refinement_description
; 
1. Fixed Uiso 
 At 1.2 times of: 
  All C(H) groups 
 At 1.5 times of: 
  All O(H) groups 
2.a Aromatic/amide H refined with riding coordinates: 
 C3(H3), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13), C16(H16), 
 C17(H17), C18(H18), C19(H19), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27) 
2.b Idealised tetrahedral OH refined as rotating group: 
 O1(H1) 
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.20098(16) 0.72910(13) 0.75113(12) 0.0256(3) Uani 1 1 d . . . . .
C2 C 0.14679(18) 0.75487(14) 0.85249(14) 0.0315(3) Uani 1 1 d . . . . .
C3 C 0.0462(2) 0.65306(16) 0.87955(15) 0.0381(4) Uani 1 1 d . . . . .
H3 H 0.0106 0.6693 0.9473 0.046 Uiso 1 1 calc R . . . .
C4 C 0.00057(19) 0.52883(15) 0.80485(16) 0.0358(3) Uani 1 1 d . . . . .
C5 C 0.04931(18) 0.49774(14) 0.70420(15) 0.0322(3) Uani 1 1 d . . . . .
H5 H 0.0147 0.4108 0.6550 0.039 Uiso 1 1 calc R . . . .
C6 C 0.15015(17) 0.59882(13) 0.67898(13) 0.0276(3) Uani 1 1 d . . . . .
H6 H 0.1859 0.5802 0.6118 0.033 Uiso 1 1 calc R . . . .
C7 C 0.30288(17) 0.83795(13) 0.72175(13) 0.0276(3) Uani 1 1 d . . . . .
C8 C 0.36601(16) 0.81390(12) 0.61635(13) 0.0252(3) Uani 1 1 d . . . . .
C9 C 0.29200(16) 0.85470(12) 0.49182(13) 0.0246(3) Uani 1 1 d . . . . .
C10 C 0.15395(17) 0.90393(14) 0.46276(14) 0.0306(3) Uani 1 1 d . . . . .
H10 H 0.1098 0.9119 0.5262 0.037 Uiso 1 1 calc R . . . .
C11 C 0.08355(18) 0.94022(15) 0.34339(15) 0.0344(3) Uani 1 1 d . . . . .
H11 H -0.0083 0.9726 0.3256 0.041 Uiso 1 1 calc R . . . .
C12 C 0.14779(18) 0.92921(15) 0.24831(15) 0.0348(3) Uani 1 1 d . . . . .
H12 H 0.0994 0.9545 0.1667 0.042 Uiso 1 1 calc R . . . .
C13 C 0.28136(17) 0.88151(14) 0.27364(14) 0.0301(3) Uani 1 1 d . . . . .
H13 H 0.3235 0.8745 0.2088 0.036 Uiso 1 1 calc R . . . .
C14 C 0.35696(16) 0.84265(12) 0.39547(13) 0.0241(3) Uani 1 1 d . . . . .
C15 C 0.49896(16) 0.79218(12) 0.42468(12) 0.0241(3) Uani 1 1 d . . . . .
C16 C 0.57473(17) 0.78474(13) 0.33605(13) 0.0283(3) Uani 1 1 d . . . . .
H16 H 0.5305 0.8104 0.2541 0.034 Uiso 1 1 calc R . . . .
C17 C 0.71177(18) 0.74080(14) 0.36668(14) 0.0318(3) Uani 1 1 d . . . . .
H17 H 0.7602 0.7367 0.3058 0.038 Uiso 1 1 calc R . . . .
C18 C 0.77951(18) 0.70214(15) 0.48785(15) 0.0328(3) Uani 1 1 d . . . . .
H18 H 0.8739 0.6727 0.5089 0.039 Uiso 1 1 calc R . . . .
C19 C 0.70800(17) 0.70728(14) 0.57630(14) 0.0306(3) Uani 1 1 d . . . . .
H19 H 0.7541 0.6810 0.6577 0.037 Uiso 1 1 calc R . . . .
C20 C 0.56637(16) 0.75130(12) 0.54699(13) 0.0246(3) Uani 1 1 d . . . . .
C21 C 0.49511(16) 0.76146(13) 0.64271(13) 0.0257(3) Uani 1 1 d . . . . .
C22 C 0.56685(16) 0.71804(13) 0.77162(13) 0.0271(3) Uani 1 1 d . . . . .
C23 C 0.55989(18) 0.58578(14) 0.77243(14) 0.0316(3) Uani 1 1 d . . . . .
H23 H 0.5136 0.5238 0.6912 0.038 Uiso 1 1 calc R . . . .
C24 C 0.6207(2) 0.54497(16) 0.89206(16) 0.0373(4) Uani 1 1 d . . . . .
H24 H 0.6149 0.4555 0.8917 0.045 Uiso 1 1 calc R . . . .
C25 C 0.6897(2) 0.63516(17) 1.01174(15) 0.0410(4) Uani 1 1 d . . . . .
H25 H 0.7302 0.6071 1.0928 0.049 Uiso 1 1 calc R . . . .
C26 C 0.6993(2) 0.76698(17) 1.01221(15) 0.0417(4) Uani 1 1 d . . . . .
H26 H 0.7470 0.8286 1.0937 0.050 Uiso 1 1 calc R . . . .
C27 C 0.63873(19) 0.80869(15) 0.89273(14) 0.0349(3) Uani 1 1 d . . . . .
H27 H 0.6463 0.8985 0.8936 0.042 Uiso 1 1 calc R . . . .
F1 F -0.09739(14) 0.42988(10) 0.83064(11) 0.0554(3) Uani 1 1 d . . . . .
O1 O 0.18901(17) 0.87690(11) 0.92527(12) 0.0480(3) Uani 1 1 d . . . . .
H1 H 0.2470 0.9298 0.8998 0.072 Uiso 1 1 calc GR . . . .
O2 O 0.33804(15) 0.95333(10) 0.78110(11) 0.0404(3) 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'
F F 0.0171 0.0103 '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
C2 C1 C7 119.66(12) . . ?
C6 C1 C2 118.33(12) . . ?
C6 C1 C7 121.98(12) . . ?
C3 C2 C1 120.49(13) . . ?
O1 C2 C1 121.95(13) . . ?
O1 C2 C3 117.56(13) . . ?
C2 C3 H3 121.0 . . ?
C4 C3 C2 118.06(13) . . ?
C4 C3 H3 121.0 . . ?
C3 C4 C5 124.03(14) . . ?
F1 C4 C3 118.19(14) . . ?
F1 C4 C5 117.78(14) . . ?
C4 C5 H5 121.2 . . ?
C6 C5 C4 117.53(13) . . ?
C6 C5 H5 121.2 . . ?
C1 C6 H6 119.2 . . ?
C5 C6 C1 121.56(12) . . ?
C5 C6 H6 119.2 . . ?
C1 C7 C8 121.17(11) . . ?
O2 C7 C1 120.94(12) . . ?
O2 C7 C8 117.88(12) . . ?
C9 C8 C7 118.08(12) . . ?
C21 C8 C7 119.96(12) . . ?
C21 C8 C9 121.87(12) . . ?
C10 C9 C8 121.63(12) . . ?
C14 C9 C8 119.30(12) . . ?
C14 C9 C10 119.06(12) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 120.95(13) . . ?
C11 C10 H10 119.5 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.20(13) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.12(13) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.4 . . ?
C12 C13 C14 121.30(13) . . ?
C14 C13 H13 119.4 . . ?
C9 C14 C13 118.37(12) . . ?
C9 C14 C15 119.37(12) . . ?
C13 C14 C15 122.26(12) . . ?
C16 C15 C14 122.01(12) . . ?
C16 C15 C20 118.35(12) . . ?
C20 C15 C14 119.62(12) . . ?
C15 C16 H16 119.3 . . ?
C17 C16 C15 121.43(12) . . ?
C17 C16 H16 119.3 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.25(13) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.85(13) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 119.5 . . ?
C18 C19 C20 121.09(13) . . ?
C20 C19 H19 119.5 . . ?
C15 C20 C21 119.99(12) . . ?
C19 C20 C15 119.02(12) . . ?
C19 C20 C21 120.92(12) . . ?
C8 C21 C20 119.78(12) . . ?
C8 C21 C22 120.49(12) . . ?
C20 C21 C22 119.70(12) . . ?
C23 C22 C21 120.54(12) . . ?
C27 C22 C21 120.50(12) . . ?
C27 C22 C23 118.94(13) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.44(13) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 119.9 . . ?
C25 C24 C23 120.25(14) . . ?
C25 C24 H24 119.9 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.85(14) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.25(14) . . ?
C27 C26 H26 119.9 . . ?
C22 C27 H27 119.9 . . ?
C26 C27 C22 120.25(14) . . ?
C26 C27 H27 119.9 . . ?
C2 O1 H1 109.5 . . ?
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 C2 1.4159(19) . ?
C1 C6 1.4037(19) . ?
C1 C7 1.4605(19) . ?
C2 C3 1.390(2) . ?
C2 O1 1.3426(18) . ?
C3 H3 0.9400 . ?
C3 C4 1.366(2) . ?
C4 C5 1.386(2) . ?
C4 F1 1.3493(18) . ?
C5 H5 0.9400 . ?
C5 C6 1.376(2) . ?
C6 H6 0.9400 . ?
C7 C8 1.5108(18) . ?
C7 O2 1.2386(17) . ?
C8 C9 1.4466(18) . ?
C8 C21 1.3650(19) . ?
C9 C10 1.4144(19) . ?
C9 C14 1.4140(18) . ?
C10 H10 0.9400 . ?
C10 C11 1.371(2) . ?
C11 H11 0.9400 . ?
C11 C12 1.395(2) . ?
C12 H12 0.9400 . ?
C12 C13 1.372(2) . ?
C13 H13 0.9400 . ?
C13 C14 1.4150(18) . ?
C14 C15 1.4544(19) . ?
C15 C16 1.4070(19) . ?
C15 C20 1.4175(18) . ?
C16 H16 0.9400 . ?
C16 C17 1.372(2) . ?
C17 H17 0.9400 . ?
C17 C18 1.396(2) . ?
C18 H18 0.9400 . ?
C18 C19 1.373(2) . ?
C19 H19 0.9400 . ?
C19 C20 1.4115(19) . ?
C20 C21 1.4481(18) . ?
C21 C22 1.4967(18) . ?
C22 C23 1.394(2) . ?
C22 C27 1.3915(19) . ?
C23 H23 0.9400 . ?
C23 C24 1.385(2) . ?
C24 H24 0.9400 . ?
C24 C25 1.379(2) . ?
C25 H25 0.9400 . ?
C25 C26 1.383(2) . ?
C26 H26 0.9400 . ?
C26 C27 1.388(2) . ?
C27 H27 0.9400 . ?
O1 H1 0.8300 . ?
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
C1 C2 C3 C4 -0.6(2) . . . . ?
C1 C7 C8 C9 107.24(14) . . . . ?
C1 C7 C8 C21 -76.14(17) . . . . ?
C2 C1 C6 C5 0.5(2) . . . . ?
C2 C1 C7 C8 178.69(12) . . . . ?
C2 C1 C7 O2 -2.5(2) . . . . ?
C2 C3 C4 C5 0.5(2) . . . . ?
C2 C3 C4 F1 -179.84(14) . . . . ?
C3 C4 C5 C6 0.2(2) . . . . ?
C4 C5 C6 C1 -0.6(2) . . . . ?
C6 C1 C2 C3 0.2(2) . . . . ?
C6 C1 C2 O1 -179.52(13) . . . . ?
C6 C1 C7 C8 -3.2(2) . . . . ?
C6 C1 C7 O2 175.57(13) . . . . ?
C7 C1 C2 C3 178.33(13) . . . . ?
C7 C1 C2 O1 -1.4(2) . . . . ?
C7 C1 C6 C5 -177.64(13) . . . . ?
C7 C8 C9 C10 -6.09(18) . . . . ?
C7 C8 C9 C14 175.23(11) . . . . ?
C7 C8 C21 C20 -173.59(11) . . . . ?
C7 C8 C21 C22 4.60(19) . . . . ?
C8 C9 C10 C11 -178.94(12) . . . . ?
C8 C9 C14 C13 179.18(11) . . . . ?
C8 C9 C14 C15 -1.31(18) . . . . ?
C8 C21 C22 C23 116.72(15) . . . . ?
C8 C21 C22 C27 -62.03(18) . . . . ?
C9 C8 C21 C20 2.90(19) . . . . ?
C9 C8 C21 C22 -178.91(11) . . . . ?
C9 C10 C11 C12 -0.1(2) . . . . ?
C9 C14 C15 C16 -176.43(11) . . . . ?
C9 C14 C15 C20 2.31(18) . . . . ?
C10 C9 C14 C13 0.46(18) . . . . ?
C10 C9 C14 C15 179.96(11) . . . . ?
C10 C11 C12 C13 0.3(2) . . . . ?
C11 C12 C13 C14 0.0(2) . . . . ?
C12 C13 C14 C9 -0.3(2) . . . . ?
C12 C13 C14 C15 -179.81(13) . . . . ?
C13 C14 C15 C16 3.1(2) . . . . ?
C13 C14 C15 C20 -178.21(12) . . . . ?
C14 C9 C10 C11 -0.3(2) . . . . ?
C14 C15 C16 C17 177.93(12) . . . . ?
C14 C15 C20 C19 -177.60(11) . . . . ?
C14 C15 C20 C21 -0.76(18) . . . . ?
C15 C16 C17 C18 0.0(2) . . . . ?
C15 C20 C21 C8 -1.84(19) . . . . ?
C15 C20 C21 C22 179.96(11) . . . . ?
C16 C15 C20 C19 1.18(18) . . . . ?
C16 C15 C20 C21 178.02(11) . . . . ?
C16 C17 C18 C19 0.4(2) . . . . ?
C17 C18 C19 C20 -0.1(2) . . . . ?
C18 C19 C20 C15 -0.8(2) . . . . ?
C18 C19 C20 C21 -177.57(13) . . . . ?
C19 C20 C21 C8 174.94(12) . . . . ?
C19 C20 C21 C22 -3.26(19) . . . . ?
C20 C15 C16 C17 -0.8(2) . . . . ?
C20 C21 C22 C23 -65.10(17) . . . . ?
C20 C21 C22 C27 116.15(15) . . . . ?
C21 C8 C9 C10 177.36(12) . . . . ?
C21 C8 C9 C14 -1.32(19) . . . . ?
C21 C22 C23 C24 -177.51(13) . . . . ?
C21 C22 C27 C26 177.47(14) . . . . ?
C22 C23 C24 C25 -0.4(2) . . . . ?
C23 C22 C27 C26 -1.3(2) . . . . ?
C23 C24 C25 C26 -0.4(2) . . . . ?
C24 C25 C26 C27 0.4(3) . . . . ?
C25 C26 C27 C22 0.5(3) . . . . ?
C27 C22 C23 C24 1.3(2) . . . . ?
F1 C4 C5 C6 -179.54(12) . . . . ?
O1 C2 C3 C4 179.10(14) . . . . ?
O2 C7 C8 C9 -71.61(17) . . . . ?
O2 C7 C8 C21 105.01(15) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168352354
