#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000521.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_2000521
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1788
_journal_page_last  1791
loop_
_publ_author_name
 'Sans-Lenain, S.'
 'Reynes, A.'
 'Gleizes, A.'
_chemical_formula_sum  'C11 H19 I1 O2'
_chemical_formula_weight  310.18
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  ?
_cell_length_a  9.188(3)
_cell_length_b  14.229(2)
_cell_length_c  10.628(12)
_cell_angle_alpha  90.
_cell_angle_beta  104.74(6)
_cell_angle_gamma  90.
_cell_volume  1344(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.81
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  616
_exptl_absorpt_coefficient_mu  2.19
_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
_atom_site_U_iso_or_equiv
 I .11107(5) .11705(3) .35386(5) .0586(6)
 O(1) .4335(6) .1039(4) .5517(5) .064(6)
 O(2) .3091(5) .2984(3) .5741(4) .048(4)
 C(1) .5942(6) .1885(5) .4456(6) .046(6)
 C(11) .6113(8) .1293(5) .3312(7) .061(8)
 C(21) .5997(7) .2929(5) .4127(9) .060(8)
 C(31) .7202(8) .1656(7) .5663(7) .070(10)
 C(2) .4431(6) .1604(4) .4717(6) .043(5)
 C(3) .3032(6) .2088(4) .3867(6) .036(5)
 C(4) .2655(5) .2948(4) .4564(5) .036(5)
 C(5) .1750(7) .3770(4) .3809(6) .041(5)
 C(15) .1518(8) .3711(5) .2334(6) .056(7)
 C(25) .0207(7) .3770(5) .4125(7) .058(7)
 C(35) .2557(8) .4671(5) .4323(8) .069(9)
 H(3) .312(5) .219(4) .299(5) .070(10)
 H(111) .7057(8) .1446(5) .3109(7) .06
 H(112) .5284(8) .1422(5) .2561(7) .06
 H(113) .6107(8) .0632(5) .3535(7) .06
 H(211) .5888(7) .3303(5) .4860(9) .06
 H(212) .5184(7) .3074(5) .3370(9) .06
 H(213) .6954(7) .3071(5) .3941(9) .06
 H(311) .8164(8) .1830(7) .5511(7) .07
 H(312) .7198(8) .0988(7) .5843(7) .07
 H(313) .7045(8) .2005(7) .6401(7) .07
 H(151) .1000(8) .3131(5) .2015(6) .06
 H(152) .2488(8) .3723(5) .2129(6) .06
 H(153) .0920(8) .4242(5) .1923(6) .06
 H(251) -.0400(7) .4281(5) .3664(7) .06
 H(252) .0345(7) .3851(5) .5054(7) .06
 H(253) -.0297(7) .3177(5) .3856(7) .06
 H(351) .2007(8) .5202(5) .3861(8) .07
 H(352) .3565(8) .4660(5) .4192(8) .07
 H(353) .2618(8) .4729(5) .5244(8) .07