#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000838.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_2000838
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1090
_journal_page_last  1092
loop_
_publ_author_name
 'Parmar, V.S.'
 'Vardhan, A.'
 'Sharma, R.K.'
 'Alcock, N.W.'
 'Errington, W.'
_chemical_formula_sum  'C17 H14 O7'
_chemical_formula_weight  330.3
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  6.579(5)
_cell_length_b  8.441(7)
_cell_length_c  13.893(14)
_cell_angle_alpha  101.92(9)
_cell_angle_beta  103.38(6)
_cell_angle_gamma  97.44(6)
_cell_volume  721
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.52
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  344
_exptl_absorpt_coefficient_mu  0.12
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O(1) .1557(6) .5065(4) .7652(3) .0250(10)
 O(2) .1036(7) .0662(4) .7152(3) .038(2)
 O(3) -.1638(6) .1203(5) .8315(3) .035(2)
 O(4) -.3622(6) .3228(5) .9288(3) .035(2)
 O(5) -.1950(6) .8782(4) .9320(3) .030(2)
 O(6) .0880(6) .8180(4) .8176(3) .0260(10)
 O(7) .8372(6) .3910(5) .5315(3) .035(2)
 C(1) .0116(8) .5324(6) .8202(4) .019(2)
 C(2) .1927(9) .3502(6) .7311(4) .024(2)
 C(3) .0785(9) .2230(7) .7524(5) .027(2)
 C(4) -.0689(9) .2425(7) .8114(5) .025(2)
 C(5) -.1002(9) .4062(6) .8450(4) .021(2)
 C(6) -.2470(8) .4435(6) .9040(4) .022(2)
 C(7) -.2740(9) .6027(7) .9328(4) .025(2)
 C(8) -.1594(8) .7246(6) .9035(4) .022(2)
 C(9) -.0152(8) .6931(6) .8488(4) .023(2)
 C(10) .3559(8) .3545(6) .6774(4) .021(2)
 C(11) .4597(9) .5042(7) .6684(5) .026(2)
 C(12) .6163(9) .5111(7) .6214(5) .028(2)
 C(13) .6799(9) .3686(7) .5773(4) .026(2)
 C(14) .5801(9) .2215(7) .5856(5) .029(2)
 C(15) .4214(10) .2128(7) .6345(5) .032(2)
 C(16) .3109(9) .8691(7) .8696(5) .036(3)
 C(17) .8790(11) .2485(8) .4696(5) .044(3)
 H(16a) .3652 .9502 .8380 ?
 H(16b) .3239 .9192 .9399 ?
 H(16C) .3905 .7815 .8654 ?
 H(17A) .9892 .2916 .4421 ?
 H(17B) .9288 .1721 .5079 ?
 H(17C) .7562 .1928 .4148 ?
 H(7) -.3822 .6162 .9706 ?
 H(11) .4271 .5900 .7000 ?
 H(12) .6995 .6158 .6178 ?
 H(14) .6037 .1300 .5668 ?
 H(15) .3414 .1129 .6386 ?
 H(21) .0349 .0042 .7423 ?
 H(41) -.3549 .2571 .8928 ?
 H(51) -.1223 .9509 .9015 ?