data_0-TOPOS_HOPXIV_chb-9-P21/c
_database_code_CSD                  HOPXIV
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        chb-9-P21/c
_chemical_name_systematic
;
methyl4-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)-1-(4-methoxyphenyl
)-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate. 
;
_chemical_formula_sum               ZA0
_citation_journal_abbrev            'PRIVATE COMMUNICATION'
_citation_year                      2014
_citation_special_details
;
Experiment details: contribution from College of Chemistry & Chemical
 Engineering, YangzhouUniversity, Yangzhou 225002, P.R. China. File: 
search24.cif. 
CENTAT: Sc1
SIMPLIG: ZA=Sc
SIMPPAR: METH=Stand; INT
RA=V| 
;
loop_
_publ_author_name
'Chao-Guo YAN'
_cell_length_a                      14.6316
_cell_length_b                      9.0132
_cell_length_c                      21.8076
_cell_angle_alpha                   90
_cell_angle_beta                    124.256
_cell_angle_gamma                   90
_cell_volume                        2377.047
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 21/c'
_symmetry_Int_Tables_number         14
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
ZA1 ZA 4 0.73944 0.76966 0.40375 1.0000
loop_
_topol_link.node_label_1
_topol_link.node_label_2
_topol_link.distance
_topol_link.site_symmetry_symop_1
_topol_link.site_symmetry_translation_1_x
_topol_link.site_symmetry_translation_1_y
_topol_link.site_symmetry_translation_1_z
_topol_link.site_symmetry_symop_2
_topol_link.site_symmetry_translation_2_x
_topol_link.site_symmetry_translation_2_y
_topol_link.site_symmetry_translation_2_z
_topol_link.type
_topol_link.multiplicity
ZA1 ZA1 7.9596 1 0 0 0 3 2 1 1 v 2
ZA1 ZA1 7.5475 1 0 0 0 3 2 2 1 v 2
ZA1 ZA1 10.8201 1 0 0 0 3 1 2 1 v 2
ZA1 ZA1 9.0132 1 0 0 0 1 0 1 0 v 4
ZA1 ZA1 10.9096 1 0 0 0 4 0 1 0 v 4
ZA1 ZA1 7.8407 1 0 0 0 2 1 0 0 v 4
#End of data_0-TOPOS_HOPXIV_chb-9-P21/c