#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000718.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_2000718
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1538
_journal_page_last  1540
loop_
_publ_author_name
 'Prince, P.'
 'Fronczek, F.R.'
 'Gandour, R.D.'
_chemical_formula_sum  'C27 H22 O5'
_chemical_formula_weight  426.5
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  ?
_cell_length_a  13.703(2)
_cell_length_b  9.122(2)
_cell_length_c  18.028(2)
_cell_angle_alpha  90.
_cell_angle_beta  107.150(10)
_cell_angle_gamma  90.
_cell_volume  2153.20(10)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.316
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  896
_exptl_absorpt_coefficient_mu  0.697
_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
 O1 .52269(8) .41000(10)
        .30622(6)
 O2 .43478(7) .85550(10)
        .52877(6)
 O3 .09136(8) .4407(2) .12194(7)
 O4 .25918(9) .4131(2) .16920(7)
 O5 .80670(9) .7541(2) .66749(6)
 C1 .70460(9) .5541(2) .48183(7)
 C2 .79600(10)
    .4823(2) .47972(8)
 C3 .79320(10)
    .3885(2) .41758(9)
 C4 .70560(10)
    .3627(2) .35936(9)
 C5 .61410(10)
    .4312(2) .36089(8)
 C6 .61311(9) .5270(2) .42047(7)
 C7 .51980(10)
    .5972(2) .41982(7)
 C8 .44327(9) .6596(2) .41917(7)
 C9 .35032(9) .73320(10)
        .41487(7)
 C10 .34640(10)
     .8347(2) .47134(8)
 C11 .25470(10)
     .9090(2) .46704(9)
 C12 .16920(10)
     .8820(2) .40749(9)
 C13 .16840(10)
     .7801(2) .34843(8)
 C14 .07990(10)
     .7487(2) .28625(9)
 C15 .08200(10)
     .6498(2) .23037(9)
 C16 .17380(10)
     .5763(2) .23286(8)
 C17 .26082(9) .6034(2) .29289(7)
 C18 .26056(9) .7047(2) .35196(7)
 C19 .18100(10)
     .4690(2) .17270(9)
 C20 .70640(10)
     .6480(2) .54446(8)
 C21 .79580(10)
     .6690(2) .60291(9)
 C22 .88630(10)
     .5986(2) .60099(9)
 C23 .88620(10)
     .5086(2) .54180(10)
 C24 .51760(10)
     .3076(2) .24587(9)
 C25 .43830(10)
     .9686(2) .58401(9)
 C26 .0920(2) .3293(3) .06390(10)
 C27 .7167(2) .8197(2) .67650(10)
 H3 .8530(10)
      .343(2) .4160(9)
 H4 .7090(10)
      .303(2) .3164(9)
 H11 .2550(10)
    .981(2) .5093(9)
 H12 .1020(10)
    .931(2) .4024(8)
 H14 .0160(10)
    .802(2) .2825(9)
 H15 .0270(10)
    .630(2) .1900(10)
 H17 .3210(10)
    .556(2) .2953(8)
 H20 .6450(10)
    .685(2) .5415(8)
 H22 .9450(10)
    .614(2) .6450(10)
 H23 .9480(10)
    .459(2) .5416(8)
 H24a .5340(10)
     .208(2) .2680(10)
 H24b .5610(10)
     .337(2) .2120(10)
 H24c .4430(10)
     .304(2) .2140(10)
 H25a .4200(10)
     1.066(2) .5570(10)
 H25b .5060(10)
     .973(2) .6180(10)
 H25c .3880(10)
     .946(2) .6097(9)
 H27a .745(2) .870(3) .7330(10)
 H27b .6660(10)
     .755(2) .6777(9)
 H27c .6880(10)
     .886(2) .6360(9)
 H26a .0238 .3105 .0330
 H26b .1214 .2416 .0891
 H26c .1309 .3634 .0316