#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000469.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_2000469
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2033
_journal_page_last  2035
loop_
_publ_author_name
 'Shoja, M.'
_chemical_formula_sum  'C18 H16 O5'
_chemical_formula_weight  313.32
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  ?
_cell_length_a  7.2960(10)
_cell_length_b  13.099(2)
_cell_length_c  15.754(2)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  1505.6(4)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.34
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  656
_exptl_absorpt_coefficient_mu  0.83
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.5418
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 O(1) .4816(4) .3363(2) .14150(10)
 O(2) .5400(4) .0356(2) .20300(10)
 O(3) .5308(4) .2611(2) -.15250(10)
 O(4) .5672(4) .0692(2) -.12390(10)
 O(5) .4290(4) .0962(2) .59400(10)
 C(1') .4698(5) .1800(2) .3399(2)
 C(2) .4698(6) .3038(2) .2228(2)
 C(2') .5545(5) .2392(2) .4016(2)
 C(3) .4845(5) .2066(2) .2483(2)
 C(3') .5431(6) .2145(3) .4878(2)
 C(4) .5173(5) .1264(2) .1845(2)
 C(4') .4466(6) .1289(3) .5129(2)
 C(5) .5437(5) .0939(2) .0282(2)
 C(5') .3569(5) .0703(3) .4515(2)
 C(6') .3699(5) .0945(2) .3665(2)
 C(6) .5461(5) .1287(2) -.0536(2)
 C(7) .5248(5) .2344(2) -.0699(2)
 C(8) .5044(5) .3023(2) -.0038(2)
 C(9) .5031(5) .2651(2) .0792(2)
 C(10) .5208(5) .1624(2) .0971(2)
 C(11) .5256(6) .3678(3) -.1724(2)
 C(12) .6452(6) -.0284(3) -.1127(2)
 C(13) .5262(8) .1482(4) .6590(2)
 HC2 .453 .355 .266
 HC2' .622 .299 .384
 HC3' .601 .259 .530
 HC5' .286 .011 .468
 HC5 .558 .022 .038
 HC6' .311 .052 .325
 HC8 .494 .373 -.015
 H1C11 .531 .377 -.233
 H1C12 .653 -.063 -.165
 H1C13 .502 .118 .713
 H2C11 .415 .397 -.152
 H2C12 .765 -.022 -.089
 H2C13 .656 .144 .649
 H3C11 .627 .402 -.147
 H3C12 .571 -.088 -.075
 H3C13 .493 .219 .662