data_2000326
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  1096
_journal_page_last  1097
loop_
_publ_author_name
 'Duax, W.L.'
 'Griffin, J.F.'
 'Strong, P.D.'
_chemical_formula_sum  'C18 H22 O2'
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P21'
_symmetry_space_group_name_Hall  ?
_cell_length_a  9.527(2)
_cell_length_b  11.182(3)
_cell_length_c  7.0780(10)
_cell_angle_alpha  90
_cell_angle_beta  108.450(10)
_cell_angle_gamma  90
_cell_volume  715.3
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.255
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  292
_exptl_absorpt_coefficient_mu  .0746
_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
 C1 .3236(2) .0209(2) .8018(2) 4.0(10)
 C2 .4245(2) .0903(2) .9417(3) 4.0(10)
 C3 .4572(2) .0631(2) 1.14280(10)
     4.0(10)
 C4 .3896(2) -.0350(2) 1.1976(2) 4.0(10)
 C5 .2893(2) -.1061(2) 1.0566(2) 3.0(10)
 C6 .2250(2) -.2139(2) 1.1284(3) 4.0(10)
 C7 .1536(2) -.3021(2) .9635(3) 4.0(10)
 C8 .0531(2) -.2385 .7787(2) 4.0(10)
 C9 .1460(2) -.1542(2) .6917(2) 4.0(10)
 C10 .25220(10)
  -.0776(2) .8527(2) 4.0(10)
 C11 .0451(2) -.0818(2) .5136(2) 4.0(10)
 C12 -.0836(2) -.0164(2) .5555(2) 4.0(10)
 C13 -.1725(2) -.1055(2) .6345(2) 3.0(10)
 C14 -.0685(2) -.1656(2) .8223(2) 3.0(10)
 C15 -.1736(2) -.2254(2) .9193(3) 4.0(10)
 C16 -.2964(2) -.1311(2) .8902(3) 4.0(10)
 C17 -.2905(2) -.0555(2) .7142(2) 3.0(10)
 C18 -.2578(2) -.1948(2) .4714(3) 5.0(10)
 O3 .5555(2) .1350(2) 1.2771(3) 6.0(10)
 O17 -.37000(10)
   .0296(2) .6482(2) 4.0(10)
 H1 .301(2) .040(2) .660(3) 5.0(10)
 H2 .473(2) .155(2) .906(3) 4.0(10)
 H4 .413(2) -.054(2) 1.331(3) 5.0(10)
 H6A .153(3) -.186(2) 1.190(4) 5.0(10)
 H6B .303(3) -.253(2) 1.226(4) 5.0(10)
 H7A .098(3) -.359(2) 1.008(3) 5.0(10)
 H7B .235(3) -.347(2) .935(4) 5.0(10)
 H8B .007(3) -.297(3) .677(4) 5.0(10)
 H9B .209(3) -.204(3) .639(4) 6.0(10)
 H11A .105(3) -.030(3) .470(4) 6.0(10)
 H11B .004(3) -.132(2) .398(3) 5.0(10)
 H12A -.144(2) .023(2) .436(3) 4.0(10)
 H12B -.043(2) .047(2) .651(3) 4.0(10)
 H14A -.023(2) -.099(2) .908(3) 3.0(10)
 H15A -.127(3) -.242(3) 1.061(4) 6.0(10)
 H15B -.215(3) -.295(3) .858(4) 6.0(10)
 H16A -.272(3) -.086(3) 1.013(4) 6.0(10)
 H16B -.398(3) -.162(3) .854(4) 6.0(10)
 H18A -.194(3) -.241(3) .420(4) 6.0(10)
 H18B -.323(3) -.248(3) .519(4) 6.0(10)
 H18C -.318(3) -.149(3) .352(4) 6.0(10)
 H30 .581(3) .114(3) 1.390(4) 5.0(10)