#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000477.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_2000477
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2044
_journal_page_last  2045
loop_
_publ_author_name
 'Nieger, M.'
 'Egert, E.'
_chemical_formula_sum  'C16 H24 O1'
_chemical_formula_weight  232.4
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_cell_length_a  15.960(10)
_cell_length_b  5.339(5)
_cell_length_c  16.97(2)
_cell_angle_alpha  90.
_cell_angle_beta  117.43(6)
_cell_angle_gamma  90.
_cell_volume  1284(2)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.202
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  512
_exptl_absorpt_coefficient_mu  0.07
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.7107
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C(1) .4098(2) -.0036(8) .6643(2) .052(2)
 C(2) .3628(2) .0093(9) .7239(2) .062(2)
 C(3) .2567(2) -.0029(8) .6665(2) .051(2)
 C(3a) .2182(2) .2119(7) .5998(2) .0380(10)
 C(4) .1134(2) .1633(8) .5391(2) .048(2)
 C(5) .0719(2) .3229(8) .4555(2) .051(2)
 C(5a) .1210(2) .2739(7) .3984(2) .0410(10)
 C(6) .0986(2) .0207(7) .3510(2) .053(2)
 C(7) .1488(2) -.0113(8) .2945(2) .058(2)
 C(8) .2542(3) .0232(7) .3498(2) .053(2)
 C(8a) .2786(2) .2757(7) .3966(2) .042(2)
 C(9) .3846(2) .3226(8) .4525(2) .052(2)
 C(10) .4254(2) .1695(8) .5359(2) .053(2)
 C(10a) .3829(2) .2125(7) .5983(2) .0400(10)
 C(10b) .2758(2) .2636(6) .5498(2) .0320(10)
 C(10c) .2270(2) .3045(6) .4513(2) .0340(10)
 O .2560(2) .5176(4) .51090(10)
         .0420(10)
 H(1a) .4769 -.0005 .7009 ?
 H(1b) .3920 -.1581 .6317 ?
 H(2a) .3831 -.1293 .7644 ?
 H(2b) .3793 .1635 .7567 ?
 H(3a) .2414 -.1583 .6344 ?
 H(3b) .2270 .0028 .7044 ?
 H(3c) .2246 .3655 .6315 ?
 H(4a) .0792 .1976 .5720 ?
 H(4b) .1056 -.0098 .5218 ?
 H(5a) .0060 .2842 .4216 ?
 H(5b) .0790 .4965 .4721 ?
 H(5c) .0957 .3991 .3528 ?
 H(6a) .0317 .0093 .3136 ?
 H(6b) .1183 -.1104 .3946 ?
 H(7a) .1253 .1109 .2478 ?
 H(7b) .1366 -.1764 .2693 ?
 H(8a) .2781 -.1072 .3936 ?
 H(8b) .2836 .0118 .3116 ?
 H(8c) .2581 .4015 .3511 ?
 H(9a) .3944 .4969 .4681 ?
 H(9b) .4161 .2799 .4179 ?
 H(10a) .4174 -.0041 .5192 ?
 H(10b) .4916 .2074 .5678 ?
 H(10c) .4089 .3641 .6309 ?