#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002930.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_2002930
_journal_name_full     'Acta Crystallographica, Section B'
_journal_year     1999
_journal_volume     B55
_journal_page_first     85
_journal_page_last     94
loop_
    _publ_author_name
    'Kaduk, J.A.'
    'Golab, J.T.'
_chemical_formula_sum     'C14 H12 O4'
_chemical_formula_weight     244
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '-x,-y,-z'
    'x,1/2-y,1/2+z'
    '-x,-1/2+y,-1/2-z'
_cell_length_a     13.41931(14)
_cell_length_b     6.14869(5)
_cell_length_c     7.15257(5)
_cell_angle_alpha     90.0
_cell_angle_beta     100.4000(10)
_cell_angle_gamma     90.0
_cell_volume     580.470(10)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     ?
_exptl_crystal_density_meas     ?
_exptl_crystal_F_000     ?
_exptl_absorpt_coefficient_mu     ?
_diffrn_radiation_type     synchrotron
_diffrn_radiation_wavelength     1.15023
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    C1 -.1040(2) -.1874(4) -.1007(5) .0180(10)
    C2 -.18940(10)
                 -.0634(6) -.0889(5) .0180(10)
    C3 -.1786(2) .1450(6) -.0118(5) .0180(10)
    C4 -.0824(2) .2294(3) .0536(3) .0180(10)
    C5 .0030(2) .1054(5) .0418(6) .0180(10)
    C7 -.2961(4) -.1447(9) -.1564(9) .0650(10)
    C8 -.3995(5) -.4521(8) -.2158(9) .0650(10)
    O1 -.3679(4) -.0283(5) -.1824(6) .0650(10)
    O2 -.2968(4) -.3610(6) -.1662(6) .0650(10)
    H1 -.10988 -.32732 -.16292 .08
    H3 -.23656 .22009 .00727 .08
    H4 -.07469 .36332 .11918 .08
    H8a -.39678 -.60428 -.22005 .08
    H8b -.43334 -.40741 -.11185 .08
    H8c -.43400 -.39121 -.33000 .08