#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002075.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_2002075
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 113
_journal_page_last 114
loop_
_publ_author_name
'Marasinghe, P.A.B.'
'Gillispie, G.D.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C14 H8 O4'
_chemical_formula_weight 240.21
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_symmetry_space_group_name_Hall '-P 2ybc'
_cell_length_a 6.0092(5)
_cell_length_b 5.3074(2)
_cell_length_c 15.7538(6)
_cell_angle_alpha  90
_cell_angle_beta 93.672(5)
_cell_angle_gamma  90
_cell_volume 501.41(5)
_cell_formula_units_Z 2
_exptl_crystal_density_diffrn 1.591
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 248
_exptl_absorpt_coefficient_mu 0.939
_diffrn_radiation_type Cu
_diffrn_radiation_wavelength 1.54178
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)