#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000451.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_2000451
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2000
_journal_page_last  2002
loop_
_publ_author_name
 'Toscano, R.A.'
 'Quijano, L.'
 'Gomez, F.'
 'Perez, G.'
 'Rios, T.'
_chemical_formula_sum  'C18 H22 O3'
_chemical_formula_weight  286.4
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_space_group_name_Hall  ?
_cell_length_a  20.828(5)
_cell_length_b  8.364(2)
_cell_length_c  21.508(4)
_cell_angle_alpha  90.
_cell_angle_beta  122.39(2)
_cell_angle_gamma  90.
_cell_volume  3164.0(10)
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.20
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1232
_exptl_absorpt_coefficient_mu  0.609
_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
 C(1) .17160(10)
      .8536(3) .11710(10)
         .0490(10)
 C(2) .1857(2) .9729(3) .16580(10)
         .0590(10)
 C(3) .2585(2) .9940(3) .22520(10)
         .0640(10)
 C(4) .31520(10)
      .8943(3) .23390(10)
         .0550(10)
 C(4a) .30180(10)
       .7714(3) .18450(10)
          .0470(10)
 C(5) .36980(10)
      .6699(3) .20160(10)
         .0530(10)
 C(6) .40740(10)
      .7152(4) .16000(10)
         .0570(10)
 C(7) .4356(2) .6083(4) .1355(2) .0690(10)
 C(8) .4313(2) .4315(4) .1367(2) .080(2)
 C(9) .3577(2) .3667(4) .0682(2) .073(2)
 C(10) .2912(2) .4044(3) .07430(10)
          .0590(10)
 C(11) .25750(10)
       .5451(3) .05250(10)
          .0540(10)
 C(12) .20100(10)
       .6150(3) .06710(10)
          .0560(10)
 C(12a) .22750(10)
     .7493(3) .12360(10)
           .0460(10)
 C(13) .4129(2) .8904(4) .1500(2) .075(2)
 C(14) .2763(2) .2859(4) .1169(2) .080(2)
 O(1) .09630(10)
      .8423(2) .05420(10)
         .0530(10)
 C(15) .04880(10)
       .7379(3) .0562(2) .0570(10)
 O(2) .06750(10)
      .6524(3) .10740(10)
         .0860(10)
 C(16) -.02760(10)
     .7407(4) -.0125(2) .070(2)
 O(3) .38840(10)
      .9111(3) .29310(10)
         .0800(10)
 H(2) .1453 1.0413 .1587 .060
 H(3) .2695 1.0773 .2603 .060
 H(5a) .3530 .5610 .1896 .060
 H(5b) .4071 .6784 .2533 .060
 H(7) .4623 .6510 .1141 .060
 H(8a) .4743 .3870 .1378 .060
 H(8b) .4324 .3995 .1802 .060
 H(9a) .3617 .2530 .052 .060
 H(9b) .3507 .4159 .0246 .060
 H(11) .2709 .6093 .0240 .060
 H(12a) .1597 .6560 .0213 .060
 H(12b) .1830 .5297 .0837 .060
 H(13a) .4341 .9437 .1965 .060
 H(13b) .3632 .9323 .1158 .060
 H(13c) .4451 .9076 .1312 .060
 H(14a) .2673 .1827 .0942 .060
 H(14b) .2324 .3181 .1175 .060
 H(14c) .3196 .2803 .1665 .060
 H(16a) -.0269 .6785 -.0497 .060
 H(16b) -.0413 .8490 -.0293 .060
 H(16c) -.0642 .6964 -.0032 .060
 H(3a) .3867(14) .989(3)   .3178(15) .060