#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2001967.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_2001967
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 303
_journal_page_last 307
loop_
_publ_author_name
'Alex, G.'
'Srinivasan, S.'
'Bakthavatchalam, R.'
'Ramadas, S.R.'
'Varghese, B.'
_chemical_formula_moiety 'C18 H22 O5'
_chemical_formula_sum 'C18 H22 O5'
_chemical_formula_weight 318.37
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_space_group_name_Hall ?
_cell_length_a 8.7410(10)
_cell_length_b 20.477(2)
_cell_length_c 9.8900(10)
_cell_angle_alpha  90
_cell_angle_beta 92.170(10)
_cell_angle_gamma  90
_cell_volume 1768.93
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.195
_exptl_crystal_density_meas 1.18
_exptl_crystal_F_000 680
_exptl_absorpt_coefficient_mu 0.677
_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
O(1) .29800(10)
  .44690(10)
   -.01270(10)
 .0490(10)
O(2) .47130(10)
  .63860(10)
   .30690(10)
.0490(10)
O(3) .52180(10)
  .68170(10)
   .10880(10)
.0470(10)
O(4) -.11990(10)
   .53510(10)
.29710(10)
 .0480(10)
O(5) .12600(10)
  .62360(10)
   .66910(10)
.0510(10)
C(1a) .3481(2) .50310(10)
.06460(10)
 .0470(10)
C(2) .4113(2) .49400(10)
   .21320(10)
.0540(10)
C(2a) .3170(2) .54230(10)
.30290(10)
 .0480(10)
C(3) .3198(2) .61210(10)
   .25690(10)
.0520(10)
C(3a) .2016(2) .65780(10)
.30760(10)
 .0510(10)
C(4) .2081(2) .67960(10)
   .46320(10)
.0510(10)
C(4a) .2201(2) .61580(10)
.54750(10)
 .0470(10)
C(5a) .0573(2) .59820(10)
.54120(10)
 .0480(10)
C(6) -.0329(2) .64150(10)
.43550(10)
 .0490(10)
C(6a) .0373(2) .63050(10)
.29200(10)
 .0500(10)
C(7) .0223(2) .55990(10)
   .24700(10)
.0510(10)
C(7a) .1510(2) .51320(10)
.29290(10)
 .0480(10)
C(8) .1662(2) .45170(10)
   .19960(10)
.0480(10)
C(8a) .1841(2) .48510(10)
.05780(10)
 .0490(10)
C(9) .3308(2) .42870(10)
   .24840(10)
.0520(10)
C(10) .0467(2) .70540(10)
.48060(10)
 .0510(10)
C(11) .5527(2) .67410(10)
.22530(10)
 .0470(10)
C(12) .6832(2) .70360(10)
.30270(10)
 .0480(10)
H -.104(2)   .4903(8) .3219(17) .053(5)
H(1a) .423(2)   .5425(8) .0367(17) .050(5)
H(2) .502(4)   .4958(18) .255(4)   .149(14)
H(2a) .362(3)   .5516(10) .397(2)   .078(7)
H(3) .291(2)   .6125(9) .1416(18) .057(5)
H(3a) .226(2)   .6994(8) .2436(18) .056(5)
H(4) .305(3)   .7145(10) .491(2)   .079(7)
H(5a) -.017(2)   .5513(9) .5222(19) .063(6)
H(6a) -.019(2)   .6515(9) .2041(18) .064(6)
H(7) .032(3)   .5603(11) .126(2)   .080(7)
H(7a) .099(2)   .5025(10) .398(2)   .063(6)
H(8) .068(3)   .4124(10) .200(2)   .073(6)
H(9A) .343(2)   .4188(8) .3536(19) .058(5)
H(9B) .372(2)   .3890(10) .195(2)   .073(6)
H(12A) .751(2)   .7328(8) .2352(17) .053(5)
H(12B) .764(3)   .6635(11) .358(2)   .071(7)
H(12C) .638(2)   .7327(10) .3746(19) .068(6)
H(4a) .3341 .5945 .5332 ?
H(6) -.1580 .6361 .4303 ?
H(8a) .0734 .5072 .0290 ?
H(10A) .0255 .7187 .5844 ?
H(10B) .0185 .7465 .4155 ?