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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2000247.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_2000247
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  1879
_journal_page_last  1881
loop_
_publ_author_name
 'Ulicky, L.'
 'Kozisek, J.'
 'Jecny, J.'
_chemical_formula_sum  'C16 H12 O5'
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P212121'
_symmetry_space_group_name_Hall  ?
_cell_length_a  3.8500(10)
_cell_length_b  23.73(3)
_cell_length_c  13.667(9)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1249(2)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.51
_exptl_crystal_density_meas  1.50(2)
_exptl_crystal_F_000  592
_exptl_absorpt_coefficient_mu  0.903
_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
 C(1) .5383000 .0989000 .8572000 .052(3)
 C(2) .506(2)   .0457(3) .8176(5) .056(3)
 C(3) .3650(18) .0373(3) .7272(5) .052(3)
 C(4) .2440(19) .0824(3) .6723(6) .054(3)
 C(5) .1331(18) .1850(3) .6510(5) .053(3)
 C(6) .0783(18) .2879(3) .6318(5) .052(3)
 C(7) .1212(18) .3437(3) .6654(5) .055(3)
 C(8) .269(2)   .3530(4) .7558(6) .061(3)
 C(9) .3791(18) .3075(3) .8138(5) .053(3)
 C(10) .4562(17) .2040(3) .8397(5) .050(3)
 C(11) .4200(19) .1467(3) .8025(5) .052(3)
 C(12) .2699(18) .1360(3) .7108(5) .051(3)
 C(13) .1836(18) .2428(3) .6889(5) .051(3)
 C(14) .3394(18) .2516(3) .7805(5) .052(3)
 O(15) .6881(15) .1043(3) .9458(4) .066(2)
 O(16) .3565(14) -.0172(2) .6956(4) .070(2)
 C(17) .221(3)   -.0295(5) .5999(6) .073(4)
 O(18) -.0145(15) .1758(2) .5731(4) .071(2)
 C(19) .007(3)   .3929(4) .6037(7) .067(3)
 O(20) .5292(15) .3203(2) .9016(4) .066(2)
 O(21) .5885(13) .2123(2) .9240(4) .067(2)
 H2 .600(14) .011(2) .856(4) .04(2)
 H4 .163(18) .074(3) .603(5) .06(2)
 H6 -.0(2)  .276(3) .563(5) .05(2)
 H8 .31(2)   .394(4) .787(6) .09(3)
 H15 .67(2)   .147(4) .966(6) .13(3)
 H20 .59(2)   .281(4) .935(6) .13(3)
 H171 .23(2)   -.079(4) .605(6) .14(3)
 H172 .34(2)   -.003(3) .544(6) .08(3)
 H173 .02(3)   -.017(4) .591(7) .12(4)
 H191 .15(2)   .403(3) .547(6) .08(3)
 H192 -.11(2)   .427(3) .658(6) .10(3)
 H193 -.16(3)   .388(4) .554(7) .14(4)