data_0-TOPOS_BOKYUX_vco;7/3/o9;nce-7-Cmce
_database_code_CSD                  BOKYUX
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        vco;7/3/o9;nce-7-Cmce
_chemical_name_systematic
;
3-(4-Chlorophenyl)-2-phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole. 
;
_chemical_formula_sum               ZA0
_citation_journal_abbrev            J.MOL.STRUCT.
_citation_year                      2014
_citation_journal_volume            1076
_citation_page_first                272
_citation_special_details
;
File: search24.cif. 
CENTAT: Sc1
SIMPLIG: ZA=Sc
SIMPPAR: METH=Stan
d; INTRA=V| 
;
loop_
_publ_author_name
'Taib L.A.'
'Faidallah H.M.'
'Sahin Z.S.'
'Asiri A.M.'
'Sahin O.'
'Arshad M.N.'
_cell_length_a                      12.7229
_cell_length_b                      9.2733
_cell_length_c                      15.9338
_cell_angle_alpha                   90
_cell_angle_beta                    90.031
_cell_angle_gamma                   90
_cell_volume                        1879.922
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 21/n'
_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 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+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 0.79483 0.59809 0.28807 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 10.5798 1 0 0 0 4 0 1 -1 v 4
ZA1 ZA1 10.7188 1 0 0 0 3 2 1 0 v 2
ZA1 ZA1 4.9265 1 0 0 0 2 1 -1 0 v 4
ZA1 ZA1 10.2595 1 0 0 0 3 1 1 1 v 2
ZA1 ZA1 8.7259 1 0 0 0 3 2 1 1 v 2
#End of data_0-TOPOS_BOKYUX_vco;7/3/o9;nce-7-Cmce