#------------------------------------------------------------------------------
#$Date: 2025-08-19 00:52:38 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301791 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/20/2002075.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2002075
loop_
_publ_author_name
'Marasinghe, P. A. B.'
'Gillispie, G. D.'
_publ_section_title
;
 Structure of 1,5-dihydroxyanthraquinone: a redetermination
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              113
_journal_page_last               114
_journal_paper_doi               10.1107/S0108270192004542
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H8 O4'
_chemical_formula_weight         240.21
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.672(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.0092(5)
_cell_length_b                   5.3074(2)
_cell_length_c                   15.7538(6)
_cell_volume                     501.41(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.939
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_F_000             248
_cod_data_source_file            cd0070.cif
_cod_data_source_block           cd0070_structure_1_of_1
_cod_database_code               2002075
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O(1) -.5037(2) -.1928(3) .11532(8)
O(7) .3170(2) .3541(3) .01934(8)
C(1) -.3364(3) -.0250(3) .12050(10)
C(2) -.3307(3) .1459(4) .18750(10)
C(3) -.1656(3) .3226(4) .19700(10)
C(4) .0003(3) .3378(4) .13890(10)
C(5) -.0033(3) .1709(3) .07220(10)
C(6) -.1703(2) -.0143(3) .06150(10)
C(7) .1732(3) .1902(3) .01000(10)
H(2) -.447(3) .133(4) .2260(10)
H(4) .108(3) .457(4) .1420(10)
H(3) -.159(3) .432(4) .2400(10)
H(1) -.488(4) -.296(5) .068(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O(1) H(1) 0.94(3)
O(1) C(1) 1.341(2)
O(7) C(7) 1.229(2)
C(1) C(2) 1.389(3)
C(1) C(6) 1.408(2)
C(2) H(2) 0.96(2)
C(2) C(3) 1.367(3)
C(3) H(3) 0.88(2)
C(3) C(4) 1.397(2)
C(4) H(4) 0.90(2)
C(4) C(5) 1.373(2)
C(5) C(6) 1.408(2)
C(5) C(7) 1.493(2)
C(6) C(7') 1.462(2)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 8328
