#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000399.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_2000399
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  2244
_journal_page_last  2245
loop_
_publ_author_name
 'Jones, P.G.'
_chemical_formula_sum  'C19 H18 O3'
_chemical_formula_weight  294.33
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 2 1/c'
_symmetry_space_group_name_Hall  ?
_cell_length_a  7.7157(10)
_cell_length_b  27.019(3)
_cell_length_c  7.6219(10)
_cell_angle_alpha  90.
_cell_angle_beta  107.473(10)
_cell_angle_gamma  90.
_cell_volume  1515.6(7)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.290
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  624
_exptl_absorpt_coefficient_mu  0.09
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C(1) .0417(3) .65150(10)
         .0966(3) .0620(10)
 C(2) .0292(3) .61700(10)
         -.0364(3) .0650(10)
 C(3) .1851(3) .60120(10)
         -.0736(3) .0530(10)
 C(4) .3569(3) .61650(10)
         .0304(3) .0400(10)
 C(4A) .3739(3) .64710(10)
       .1859(3) .0390(10)
 C(4B) .5459(3) .66110(10)
       .3221(3) .0420(10)
 C(5) .7036(3) .63100(10)
         .3749(3) .0440(10)
 C(6) .8639(3) .65070(10)
         .4878(3) .0610(10)
 C(7) .8713(5) .69770(10)
         .5606(3) .0760(10)
 C(8) .7160(5) .72450(10)
         .5327(3) .0700(10)
 C(8A) .5505(4) .70640(10)
       .4188(3) .0540(10)
 C(9) .3833(5) .73020(10)
         .4155(3) .0640(10)
 C(10) .2237(4) .70980(10)
       .3262(3) .0640(10)
 C(10A) .2113(3) .66850(10)
        .2058(3) .0490(10)
 C(41) .5126(3) .60580(10)
       -.0483(3) .0450(10)
 C(42) .4837(4) .63250(10)
       -.2295(3) .0620(10)
 O(4) .5433(3) .55440(10)
         -.0656(3) .0690(10)
 C(51) .6999(3) .57620(10)
       .3405(3) .0500(10)
 O(52) .7549(2) .55380(10)
       .5227(2) .0610(10)
 C(52) .7716(3) .50570(10)
       .5319(3) .0590(10)
 O(53) .7482(4) .48080(10)
       .3967(3) .1240(10)
 C(53) .8262(4) .48630(10)
       .7224(3) .0740(10)
 H(1) -.0670 .6645 .1157 ?
 H(2) -.0870 .6036 -.1040 ?
 H(3) .1741 .5790 -.1746 ?
 H(6) .9727 .6311 .5164 ?
 H(7) .9858 .7115 .6307 ?
 H(8) .7201 .7561 .5916 ?
 H(9) .3863 .7612 .4782 ?
 H(10) .1145 .7231 .3432 ?
 H(41) .6209 .6183 .0389 ?
 H(421) .4761 .6671 -.2052 ?
 H(422) .3735 .6220 -.3191 ?
 H(423) .5847 .6267 -.2760 ?
 H(04) .456(4)   .5447(11) -.152(4)   ?
 H(511) .7833 .5676 .2741 ?
 H(512) .5797 .5657 .2723 ?
 H(531) .8225 .4508 .7178 ?
 H(532) .7477 .4981 .7900 ?
 H(533) .9484 .4970 .7820 ?