data_0-TOPOS_LGLUAC01_eci;8/3/t2
_database_code_CSD                  LGLUAC01
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        eci;8/3/t2
_chemical_name_systematic
;
L-Glutamic acid. 
;
_chemical_formula_sum               Sc0
_citation_journal_abbrev            'APPLIED CRYSTALLOGRAPHY CONFERENCE, 17TH'
_citation_year                      1999
_citation_page_first                40
_citation_special_details
;
Experiment details: beta polymorph. Experiment details: The study was
 carried out at room temperature,in the range 283-303K. Citation deta
ils: is a racemate of this entry. File: search24.cif. 
CENTAT: none


SIMPLIG: Sc=C5H9NO4| 
;
loop_
_publ_author_name
'Marcoin W.'
'Duda H.'
'Kusz J.'
'Bzowski B.'
'Warczewski J.'
_cell_length_a                      5.154
_cell_length_b                      6.942
_cell_length_c                      17.274
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        618.0476
_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 0.24361 0.56585 0.88589 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 5.1540 1 0 0 0 1 1 0 0 v 4
Sc1 Sc1 6.4088 1 0 0 0 4 1 -1 1 v 4
Sc1 Sc1 5.3591 1 0 0 0 3 0 1 2 v 4
Sc1 Sc1 8.6855 1 0 0 0 2 0 1 -1 v 4
#End of data_0-TOPOS_LGLUAC01_eci;8/3/t2