#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000459.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_2000459
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2016
_journal_page_last  2019
loop_
_publ_author_name
 'Matsuzawa, E.S.'
 'Hirayama, N.'
 'Ohshima, E.'
 'Obase, H.'
_chemical_formula_sum  'C17 H14 O4'
_chemical_formula_weight  282.30
_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  13.6440(10)
_cell_length_b  8.8780(10)
_cell_length_c  13.000(2)
_cell_angle_alpha  90.
_cell_angle_beta  117.100(10)
_cell_angle_gamma  90.
_cell_volume  1401.9(4)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.34
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  592
_exptl_absorpt_coefficient_mu  0.75
_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) .0006(9) .51160(10)
         .21740(10)
         ?
 O(2) -.1183(9) .1193(2) -.00300(10)
           ?
 O(3) .39110(10)
      .1867(2) .21570(10)
         ?
 O(4) .41650(10)
      .1070(2) .06940(10)
         ?
 C(1) -.26150(10)
       .4398(2) .1837(2) ?
 C(2) -.3674(2) .4081(3) .1005(2) ?
 C(3) -.38530(10)
       .3239(3) .0053(2) ?
 C(4) -.29660(10)
       .2679(2) -.0075(2) ?
 C(5) -.18910(10)
       .3001(2) .07490(10)
          ?
 C(6) -.17160(10)
       .3859(2) .17090(10)
          ?
 C(7) -.05750(10)
       .4178(2) .26200(10)
          ?
 C(8) .05090(10)
      .4365(2) .16260(10)
         ?
 C(9) .01290(10)
      .3062(2) .09700(10)
         ?
 C(10) -.09840(10)
     .2334(2) .05550(10)
           ?
 C(11) .14960(10)
       .5033(2) .1772(2) ?
 C(12) .21150(10)
       .4362(2) .1312(2) ?
 C(13) .17940(10)
       .3023(2) .07040(10)
          ?
 C(14) .08090(10)
       .2391(2) .05410(10)
          ?
 C(15) .24900(10)
       .2264(2) .02220(10)
          ?
 C(16) .35870(10)
       .1750(2) .11460(10)
          ?
 C(17) .5226(2) .0474(3) .1517(2) ?
 HC1 -.2480(10)
     .503(2) .2520(10)
         ?
 HC2 -.424(2) .452(2) .112(2) ?
 HC3 -.4560(10)
     .301(2) -.052(2) ?
 HC4 -.3080(10)
     .212(2) -.0740(10)
          ?
 HC7A -.0560(10)
      .476(2) .3280(10)
          ?
 HC7B -.0160(10)
      .320(2) .2930(10)
          ?
 HC11 .1720(10)
     .598(2) .2180(10)
         ?
 HC12 .2790(10)
     .488(2) .146(2) ?
 HC14 .0590(10)
     .140(2) .0120(10)
         ?
 HC15A .2150(10)
      .135(2) -.0260(10)
           ?
 HC15B .2610(10)
      .292(2) -.0260(10)
           ?
 HC17A .511(2) -.017(3) .205(2) ?
 HC17B .548(2) -.005(3) .107(2) ?
 HC17C .561(2) .122(3) .202(2) ?