#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000820.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_2000820
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1033
_journal_page_last  1036
loop_
_publ_author_name
 'Robinson, P.D.'
 'Meyers, C.Y.'
 'Kolb, V.M.'
 'Tunnell, J.L.'
 'Ferrara, J.D.'
_chemical_formula_sum  'C20 H22 O3'
_chemical_formula_weight  310.39
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_cell_length_a  16.58(3)
_cell_length_b  8.340(10)
_cell_length_c  24.35(3)
_cell_angle_alpha  90.
_cell_angle_beta  91.2(2)
_cell_angle_gamma  90.
_cell_volume  3367(8)
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.224
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1328
_exptl_absorpt_coefficient_mu  0.076
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 C(1) .3320(6) .2120(10)
        .1157(5)
 O(2) .2931(4) .0992(8) .0801(3)
 C(3) .3436(7) -.0440(10)
         .0826(4)
 C(4) .4168(6) .0210(10)
        .1154(4)
 O(5) .4564(4) .1428(9) .0828(3)
 C(6) .4043(7) .2820(10)
        .0855(4)
 O(7) .3751(4) .1158(8) .1559(3)
 C(8) .4490(10)
     .416(2) .1148(6)
 C(9) .3845(9) .337(2) .0270(7)
 C(10) .3014(7) -.173(2) .1107(5)
 C(11) .3660(10)
      -.096(2) .0240(7)
 C(12) .2718(7) .326(2) .1425(6)
 C(13) .2739(7) .358(2) .1957(5)
 C(14) .2188(9) .457(2) .2173(5)
 C(15) .1618(8) .531(2) .1838(7)
 C(16) .1572(7) .4940(10)
         .1300(6)
 C(17) .2141(7) .396(2) .1071(5)
 C(18) .4794(7) -.091(2) .1408(6)
 C(19) .4701(7) -.141(2) .1949(5)
 C(20) .5254(8) -.253(2) .2167(5)
 C(21) .5886(8) -.307(2) .1846(6)
 C(22) .5949(7) -.251(2) .1313(6)
 C(23) .5402(7) -.1410(10)
       .1091(5)
 C(1') .1657(7) .0440(10)
         .3887(5)
 O(2') .2009(4) .1570(10)
         .4269(3)
 C(3') .1490(6) .2980(10)
         .4243(5)
 C(4') .0792(7) .2260(10)
         .3874(5)
 O(5') .0407(4) .1108(9) .4175(3)
 C(6') .0922(6) -.0340(10)
       .4167(5)
 O(7') .1269(4) .1412(8) .3488(3)
 C(8') .0506(6) -.158(2) .3775(6)
 C(9') .1096(8) -.098(2) .4736(5)
 C(10') .1972(8) .430(2) .3933(6)
 C(11') .1265(8) .349(2) .4795(4)
 C(12') .2277(6) -.0630(10)
        .3666(4)
 C(13') .2274(7) -.1000(10)
        .3104(5)
 C(14') .2852(8) -.206(2) .2893(5)
 C(15') .3436(7) -.271(2) .3241(6)
 C(16') .3415(8) -.237(2) .3797(6)
 C(17') .2866(6) -.1300(10)
        .3996(4)
 C(18') .0230(7) .340(2) .3615(4)
 C(19') .0297(7) .3950(10)
       .3092(5)
 C(20') -.0247(9) .502(2) .2854(5)
 C(21') -.0878(8) .556(2) .3152(6)
 C(22') -.0989(8) .505(2) .3671(7)
 C(23') -.0438(8) .400(2) .3900(5)
 H(8A) .4923 .4510 .0932
 H(8B) .4687 .3791 .1493
 H(8C) .4127 .5034 .1203
 H(9A) .3634 .2501 .0062
 H(9B) .4321 .3759 .0105
 H(9C) .3456 .4211 .0280
 H(10A) .2527 -.1976 .0911
 H(10B) .3347 -.2657 .1123
 H(10C) .2892 -.1398 .1469
 H(11A) .3182 -.1240 .0039
 H(11B) .4010 -.1858 .0259
 H(11C) .3920 -.0097 .0062
 H(13) .3144 .3112 .2187
 H(14) .2191 .4755 .2558
 H(15) .1261 .6083 .1987
 H(16) .1143 .5356 .1078
 H(17) .2144 .3772 .0687
 H(19) .4275 -.1006 .2164
 H(20) .5198 -.2912 .2531
 H(21) .6268 -.3809 .1991
 H(22) .6376 -.2882 .1093
 H(23) .5455 -.1020 .0727
 H(8A') .0111 -.2165 .3970
 H(8B') .0899 -.2306 .3641
 H(8C') .0255 -.1038 .3475
 H(9A') .0604 -.1280 .4902
 H(9B') .1439 -.1887 .4715
 H(9C') .1353 -.0171 .4952
 H(10A') .1658 .5253 .3910
 H(10B') .2089 .3936 .3574
 H(10C') .2462 .4519 .4129
 H(11A') .1034 .2619 .4985
 H(11B') .0884 .4343 .4766
 H(11C') .1732 .3858 .4991
 H(13') .1881 -.0539 .2864
 H(14') .2840 -.2332 .2514
 H(15') .3847 -.3377 .3099
 H(16') .3784 -.2887 .4043
 H(17') .2895 -.1021 .4374
 H(19') .0736 .3587 .2880
 H(20') -.0181 .5368 .2487
 H(21') -.1247 .6302 .2992
 H(22') -.1438 .5410 .3873
 H(23') -.0512 .3655 .4268