#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000754.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_2000754
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1234
_journal_page_last  1237
loop_
_publ_author_name
 'Suwinska, K.'
_chemical_formula_moiety  'C16 H36 N2 O4,I2'
_chemical_formula_sum  'C16 H36 I2 N2 O4'
_chemical_formula_weight  574.3
_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  6.4820(10)
_cell_length_b  16.932(2)
_cell_length_c  10.8710(10)
_cell_angle_alpha  90.
_cell_angle_beta  106.63(2)
_cell_angle_gamma  90.
_cell_volume  1143.3(5)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.668
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  568
_exptl_absorpt_coefficient_mu  2.7393
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71078
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 N(1) .0726(4) -.13100(10)
       .2248(2)
 C(2) .3018(5) -.1306(2) .3140(3)
 C(3) .4099(5) -.0519(2) .3385(3)
 O(4) .4334(3) -.02010(10)
       .2229(2)
 C(5) .4940(5) .0614(2) .2326(3)
 C(6) .4922(5) .0883(2) .1014(3)
 O(7) .2861(3) .07890(10)
         .0095(2)
 C(8) .1327(5) .1376(2) .0155(3)
 C(9) -.0770(5) .1223(2) -.0866(3)
 C(10) -.0232(6) -.2095(2) .2427(3)
 C(11) -.0559(5) -.0665(2) .2630(3)
 I -.06994(3) -.173490(10)
       .60031(2)
 H(2a) .388(5) -.167(2) .276(3)
 H(2b) .284(4) -.148(2) .393(3)
 H(3a) .563(5) -.059(2) .401(3)
 H(3b) .332(5) -.012(2) .378(3)
 H(5a) .654(5) .068(2) .293(3)
 H(5b) .402(4) .091(2) .271(3)
 H(6a) .599(4) .058(2) .071(3)
 H(6b) .537(4) .146(2) .102(3)
 H(8a) .207(5) .191(2) .006(3)
 H(8b) .098(4) .133(2) .101(3)
 H(9a) -.186(5) .159(2) -.068(3)
 H(9b) -.128(4) .070(2) -.078(2)
 H(10a) .049(5) -.251(2) .212(3)
 H(10b) -.018(6) -.216(2) .338(3)
 H(10c) -.175(6) -.209(2) .192(3)
 H(11a) -.008(4) -.016(2) .242(2)
 H(11b) -.202(5) -.076(2) .215(3)
 H(11c) -.037(4) -.074(2) .354(3)