#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2001992.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_2001992
_journal_name_full 'Acta Crystallographica Section C'
_journal_year 1993
_journal_volume 49
_journal_page_first 357
_journal_page_last 359
loop_
_publ_author_name
'Wallet, J.C.'
'Wojtczak, A.'
'Cody, V.'
'Galitsky, N.'
'Gayou, E.M.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C18 H16 O7'
_chemical_formula_weight 344.32
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'Pna21'
_symmetry_space_group_name_Hall ?
_cell_length_a 7.7680(10)
_cell_length_b 26.621(3)
_cell_length_c 7.4670(10)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 1544.1(6)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.481
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 720
_exptl_absorpt_coefficient_mu 0.926
_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
C8 .3549(4) .23410(10)
 .3451
O1 .2983(3) .16330(10)
 .1674(6)
C7 .3494(4) .28600(10)
 .3677(7)
C6 .2817(5) .31750(10)
 .2375(8)
C10 .2184(4) .24460(10)
  .0526(7)
C9 .2893(4) .21490(10)
 .1865(7)
C4' .3405(4) -.01630(10)
   .0068(7)
O7 .3636(3) -.06690(10)
  -.0112(6)
C5 .2151(4) .29730(10)
 .0821(7)
C3 .1714(4) .16890(10)
 -.1209(7)
O2 .4098(4) .30780(10)
 .5168(6)
O4 .0852(3) .24790(10)
 -.2305(6)
O3 .1469(4) .32740(10)
 -.0424(7)
C5' .4520(4) .01620(10)
  .0969(7)
C2' .1612(4) .05400(10)
  -.0762(7)
C4 .1531(4) .22250(10)
 -.1078(7)
O6 .0908(3) -.02780(10)
  -.1801(6)
C6' .4172(4) .06740(10)
  .0989(7)
C3' .1930(4) .00280(10)
  -.0790(7)
C2 .2421(4) .14170(10)
 .0135(7)
C1' .2705(4) .08700(10)
  .0137(7)
O5 .0212(3) .07270(10)
 -.1659(7)
C13 .5071(5) -.08960(10)
   .0803(8)
C15 -.1459(5) .0626(2) -.0971(9)
C14 -.0155(5) -.0627(2) -.0837(8)
H8 .416 .212 .443
H6 .279 .358 .259
H3 .128 .150 -.240
H5' .565 .001 .165
H6' .504 .092 .171
H13A .497 -.082 .222
H13B .509 -.129 .054
H13C .625 -.072 .029
H15A -.156 .078 .037
H15B -.241 .080 -.182
H15C -.167 .022 -.091
H14A -.099 -.042 .006
H14B -.088 -.085 -.174
H14C .067 -.087 -.001
H7 .466 .283 .603
H5 .111 .304 -.148