#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000458.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_2000458
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  2016
_journal_page_last  2019
loop_
_publ_author_name
 'Matsuzawa, E.S.'
 'Hirayama, N.'
 'Ohshima, E.'
 'Obase, H.'
_chemical_formula_sum  'C16 H12 O4'
_chemical_formula_weight  268.27
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_cell_length_a  11.0040(10)
_cell_length_b  12.6209(9)
_cell_length_c  9.6920(8)
_cell_angle_alpha  90.
_cell_angle_beta  108.224(7)
_cell_angle_gamma  90.
_cell_volume  1278.5(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.39
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  560
_exptl_absorpt_coefficient_mu  0.79
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54184
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O(1) .87460(10)
      .56650(10)
         .77540(10)
         ?
 O(2) .70530(10)
      .39780(10)
         .37220(10)
         ?
 O(3) .96610(10)
      .11930(10)
         .54570(10)
         ?
 O(4) 1.14880(10)
       .06660(10)
       .51520(10)
          ?
 C(1) .5847(2) .6869(2) .6086(2) ?
 C(2) .5101(2) .7278(2) .4774(2) ?
 C(3) .5104(2) .6797(2) .3491(2) ?
 C(4) .5850(2) .5921(2) .3530(2) ?
 C(5) .66330(10)
      .55120(10)
         .4838(2) ?
 C(6) .6620(2) .59940(10)
         .6135(2) ?
 C(7) .7406(2) .5557(2) .7560(2) ?
 C(8) .9298(2) .48820(10)
         .7174(2) ?
 C(9) .87080(10)
      .43450(10)
         .5864(2) ?
 C(10) .7430(2) .45660(10)
       .4767(2) ?
 C(11) 1.0546(2) .4646(2) .7991(2) ?
 C(12) 1.1214(2) .3853(2) .7573(2) ?
 C(13) 1.0655(2) .32840(10)
        .6291(2) ?
 C(14) .9427(2) .35460(10)
       .5468(2) ?
 C(15) 1.1406(2) .24300(10)
        .5836(2) ?
 C(16) 1.07530(10)
     .13800(10)
        .5480(2) ?
 H1 .415(2) .279(2) .301(2) ?
 H2 .451(2) .792(2) .470(2) ?
 H(O)3 .103(2) .001(2) .496(2) ?
 H3 .046(2) .212(2) .243(2) ?
 H4 .086(2) .9410(10)
        .775(2) ?
 H11 .403(2) .010(2) .620(2) ?
 H12 .287(2) .869(2) .678(2) ?
 H14 .1010(10)
    .6840(10)
      .541(2) ?
 H71 .225(2) .8980(10)
      .329(2) ?
 H72 .275(2) .5200(10)
      .238(2) ?
 H151 .226(2) .2290(10)
       .656(2) ?
 H152 .165(2) .265(2) .503(2) ?