data_0-TOPOS_MOBWEH_snq;6/3/t7;sqc836 _database_code_CSD MOBWEH _audit_creation_date 9/7/2021 _audit_creation_method ToposPro _chemical_formula_structural snq;6/3/t7;sqc836 _chemical_name_systematic ; methyl 1,4-diphenyl-2,3,4,9-tetrahydro-1H-\b-carboline-4-carboxylate. ; _chemical_formula_sum ZA0 _citation_journal_abbrev 'Chemical Science' _citation_year 2014 _citation_journal_volume 5 _citation_page_first 1799 _citation_special_details ; File: search24.cif. CENTAT: Sc1 SIMPLIG: ZA=Sc SIMPPAR: METH=Stan d; INTRA=V| ; loop_ _publ_author_name 'Mori K.' 'Wakazawa M.' 'Akiyama T.' _cell_length_a 21.2628 _cell_length_b 21.2628 _cell_length_c 9.0321 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 4083.473 _cell_formula_units_Z 8 _symmetry_space_group_name_H-M 'P -4 21 c' _symmetry_Int_Tables_number 114 _refine_ls_R_factor_all 0 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,-y,z 3 1/2+x,1/2-y,1/2-z 4 1/2-x,1/2+y,1/2-z 5 1/2+y,1/2+x,1/2+z 6 1/2-y,1/2-x,1/2+z 7 -y,x,-z 8 y,-x,-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 8 0.43610 0.26511 0.12355 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 9.0321 1 0 0 0 1 0 0 -1 v 8 ZA1 ZA1 7.6526 1 0 0 0 7 1 0 0 v 8 ZA1 ZA1 7.5500 1 0 0 0 6 0 0 -1 v 8 #End of data_0-TOPOS_MOBWEH_snq;6/3/t7;sqc836