#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000788.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_2000788
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1324
_journal_page_last  1326
loop_
_publ_author_name
 'Maniukiewicz, W.'
 'Bukowska-Strzyzewska, M.'
_chemical_formula_sum  'C11 H8 O2'
_chemical_formula_weight  172.18
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  ?
_cell_length_a  5.6300(10)
_cell_length_b  9.341(2)
_cell_length_c  15.531(3)
_cell_angle_alpha  90.
_cell_angle_beta  98.400(10)
_cell_angle_gamma  90.
_cell_volume  808.0(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.415
_exptl_crystal_density_meas  1.41
_exptl_crystal_F_000  360
_exptl_absorpt_coefficient_mu  0.75
_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
_atom_site_U_iso_or_equiv
 O1 .2259(3) .0924(2) .05347(9) .0617(3)
 O2 -.1255(3) .2018(2) .11921(10) .0733(3)
 C1 -.0335(3) .2720(2) -.01890(10) .0404(3)
 C2 .1565(3) .1775(2) -.01568(11) .0433(3)
 C3 .2913(3) .1668(2) -.08502(12) .0487(3)
 C4 .2349(3) .2517(2) -.15636(11) .0444(3)
 C5 -.0136(3) .4382(2) -.23770(11) .0463(3)
 C6 -.1967(3) .5337(2) -.24446(12) .0515(3)
 C7 -.3327(4) .5467(2) -.17614(13) .0537(3)
 C8 -.2813(3) .4642(2) -.10313(11) .0490(3)
 C9 -.0939(3) .3631(2) -.09377(10) .0375(3)
 C10 .0442(3) .3514(2) -.16319(10) .0380(3)
 C11 -.1735(3) .2757(2) .05577(11) .0491(3)
 H1 .0820(5) .1047(5) .0909(5) .1093(5)
 H3 .4265(5) .1017(5) -.0784(5) .0412(5)
 H4 .3394(5) .2446(5) -.2046(5) .0655(5)
 H5 .0700(5) .4252(5) -.2861(5) .0520(5)
 H6 -.2450(5) .5963(5) -.2926(5) .0816(5)
 H7 -.4723(5) .6195(5) -.1838(5) .0490(5)
 H8 -.3811(5) .4725(5) -.0569(5) .0674(5)
 H11 -.2906(5) .3359(5) .0481(5) .0565(5)