#------------------------------------------------------------------------------
#$Date: 2021-05-03 14:41:16 +0200 (lun 03 de may de 2021) $
#$Revision: 264769 $
#$URL: svn://www.crystallography.net/cod/cif/5/90/00/5900024.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_5900024
_journal_name_full               'Proc. Roy. Soc.'
_journal_page_first              369
_journal_paper_doi               10.1098/rspa.1938.0023
_journal_volume                  164
_journal_year                    1938
_chemical_formula_sum            'C13 H20 O8'
_chemical_name_systematic        'Pentaerythritole tetraacetate'
_symmetry_Int_Tables_number      86
_symmetry_space_group_name_H-M   'P 42/n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.00
_cell_length_b                   12.00
_cell_length_c                   5.51
_cod_data_source_file            025_pentaerythritole_tetraacetate.cif
_cod_data_source_block           pentaerythritole_tetraacetate
_cod_depositor_comments
;
 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop
 and updated the _citation_author_name data item value.

 Antanas Vaitkus,
 2021-05-03
;
_cod_database_code               5900024
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C1 2 a 0 0 0
C2 C2 8 g 0.095 0.040 0.161
O1 O1 8 g 0.181 0.070 0
C3 C3 8 g 0.270 0.120 0.367
O2 O2 8 g 0.280 0.120 0.367
C4 C4 8 g 0.366 0.133 0.950
loop_
_citation_author_citation_id
_citation_author_ordinal
_citation_author_name
1 1 'Kitajgorodskij, A. I.'
loop_
_citation_id
_citation_coordinate_linkage
_citation_title
_citation_book_title
_citation_country
_citation_page_first
_citation_page_last
_citation_year
_citation_book_publisher
_cod_citation_special_details
1 yes ? 'Organicheskaja Kristallokhimija' USSR ? ? 1955
'Izdatel'stvo Akademii Nauk SSSR'
;

Coordinates are presented as published in this book, Kitajgorodskij's
"Organicheskaja Kristallokhimija", keyed in manually.

Saulius Gražulis
;
loop_
_geom_angle
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
105(3) C1 C2 O1
111(3) C2 O1 C3
108.5(30) O1 C3 C4
125(3) C4 C3 O2
124(3) O2 C3 O1
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C1 C2 1.52(3)
C2 O1 1.41(3)
O1 C3 1.41(3)
C3 C4 1.52(3)
C3 O2 1.33(3)
