data_0-TOPOS_COLLIA_13T4
_database_code_CSD                  COLLIA
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        13T4
_chemical_name_systematic
;
4,4-dibutyl-2-phenyl-3,4-dihydroquinazoline. 
;
_chemical_formula_sum               ZA0
_citation_journal_abbrev            'ACTA CRYSTALLOGR.,SECT.E:STRUCT.REP.ONLINE'
_citation_year                      2014
_citation_journal_volume            70
_citation_special_details
;
File: search24.cif. 
CENTAT: Sc1
SIMPLIG: ZA=Sc
SIMPPAR: METH=Stan
d; INTRA=V| 
;
loop_
_publ_author_name
'El-Hiti G.A.'
'Smith K.'
'Hegazy A.S.'
'Alshammari M.B.'
'Kariuki B.M.'
_cell_length_a                      19.2953
_cell_length_b                      9.9889
_cell_length_c                      9.6341
_cell_angle_alpha                   90
_cell_angle_beta                    96.667
_cell_angle_gamma                   90
_cell_volume                        1844.308
_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 0.23668 0.36496 0.23688 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 9.9889 1 0 0 0 1 0 1 0 v 4
ZA1 ZA1 13.0447 1 0 0 0 3 1 0 1 v 2
ZA1 ZA1 10.4386 1 0 0 0 2 0 0 0 v 4
ZA1 ZA1 10.0921 1 0 0 0 3 0 1 0 v 2
ZA1 ZA1 11.2993 1 0 0 0 2 1 0 0 v 4
ZA1 ZA1 5.3365 1 0 0 0 4 0 0 0 v 4
ZA1 ZA1 11.1482 1 0 0 0 3 1 1 1 v 2
ZA1 ZA1 9.0761 1 0 0 0 4 0 1 0 v 4
#End of data_0-TOPOS_COLLIA_13T4