data_0-TOPOS_AHGALP_sqc135
_database_code_CSD                  AHGALP
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc135
_chemical_name_systematic
;
1,6-Anhydro-\b-D-galactopyranose. 
;
_chemical_formula_sum               Sc0
_citation_journal_abbrev            'ACTA CRYSTALLOGR.,SECT.B:STRUCT.CRYSTALLOGR.CRYST.CHEM.'
_citation_year                      1980
_citation_journal_volume            36
_citation_page_first                861
_citation_special_details
;
Experiment details: The study was carried out at room temperature,in 
the range 283-303K. File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C
6H10O5| 
;
loop_
_publ_author_name
'Ceccarelli C.'
'Ruble J.R.'
'Jeffrey G.A.'
_cell_length_a                      11.073
_cell_length_b                      28.89
_cell_length_c                      6.396
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        2046.074
_cell_formula_units_Z               12
_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
Sc2 Sc 4 0.90861 0.25484 0.79550 1.0000
Sc1 Sc 4 0.72244 0.07900 0.27704 1.0000
Sc3 Sc 4 0.20114 0.07884 0.81089 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
Sc2 Sc1 6.2882 1 0 0 0 1 0 0 1 v 4
Sc2 Sc2 6.3960 1 0 0 0 1 0 0 -1 v 4
Sc2 Sc2 6.1298 1 0 0 0 3 -1 0 2 v 4
Sc2 Sc3 5.8910 1 0 0 0 3 0 0 2 v 4
Sc1 Sc3 6.4968 1 0 0 0 1 0 0 -1 v 4
Sc1 Sc1 5.6069 1 0 0 0 2 1 0 0 v 4
Sc1 Sc3 6.0817 1 0 0 0 1 1 0 -1 v 4
Sc3 Sc3 5.6700 1 0 0 0 2 0 0 -1 v 4
#End of data_0-TOPOS_AHGALP_sqc135