data_0-TOPOS_GLUTAM02_bct;10/3/t1;sqc8
_database_code_CSD                  GLUTAM02
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        bct;10/3/t1;sqc8
_chemical_name_systematic
;
L-Glutamine. 
;
_chemical_formula_sum               Sc0
_citation_journal_abbrev            J.MOL.STRUCT.
_citation_year                      2001
_citation_journal_volume            595
_citation_page_first                39
_citation_special_details
;
Citation details: is a racemate of this entry. File: search24.cif. 

CENTAT: none
SIMPLIG: Sc=C5H10N2O3| 
;
loop_
_publ_author_name
'Wagner A.'
'Luger P.'
_cell_length_a                      5.1028
_cell_length_b                      7.7641
_cell_length_c                      15.9878
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        633.415
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 21 21 21'
_symmetry_Int_Tables_number         19
_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,-y,1/2+z
3 1/2+x,1/2-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
Sc1 Sc 4 0.18732 0.71319 0.14248 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
Sc1 Sc1 5.1028 1 0 0 0 1 1 0 0 v 4
Sc1 Sc1 6.0887 1 0 0 0 4 1 0 0 v 4
Sc1 Sc1 5.5267 1 0 0 0 4 0 0 0 v 4
Sc1 Sc1 8.8881 1 0 0 0 3 -1 0 0 v 4
Sc1 Sc1 5.2530 1 0 0 0 3 -1 1 0 v 4
#End of data_0-TOPOS_GLUTAM02_bct;10/3/t1;sqc8