#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000636.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_2000636
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1703
_journal_page_last  1705
loop_
_publ_author_name
 'Lynch, V.M.'
 'Liao, Y.'
 'Martin, S.F.'
 'Davis, B.E.'
_chemical_formula_moiety  'C20 H29 N2,I1'
_chemical_formula_sum  'C20 H29 I1 N2'
_chemical_formula_weight  424.37
_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  9.441(4)
_cell_length_b  10.378(4)
_cell_length_c  20.023(9)
_cell_angle_alpha  90.
_cell_angle_beta  91.56(3)
_cell_angle_gamma  90.
_cell_volume  1961.0(10)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.44
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  864
_exptl_absorpt_coefficient_mu  1.616
_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
 I1 .53972(2) -.07530(2) .716040(10) .03449(8)
 C1 .7024(3) .2819(3) .62578(14) .0247(8)
 N2 .7498(3) .2657(3) .55694(12) .0278(7)
 C3 .6609(3) .1735(3) .5198(2) .0326(10)
 C4 .5072(3) .2170(3) .5168(2) .0330(10)
 C4A .4554(3) .2379(3) .5878(2) .0293(9)
 C5 .3015(3) .2732(3) .5952(2) .0394(10)
 C6 .2579(3) .2966(3) .6555(2) .0396(10)
 C7 .3621(3) .2920(3) .7131(2) .0343(10)
 C7A .5001(3) .3606(3) .69665(14) .0238(8)
 N8 .4903(3) .5090(2) .70550(12) .0242(7)
 C9 .5851(3) .5596(3) .6517(2) .0282(10)
 C10 .5521(3) .4720(3) .5929(2) .0273(9)
 C10A .5514(3) .3371(3) .62458(13) .0220(8)
 C11 .8992(3) .2311(4) .5563(2) .0334(10)
 C12 .9633(3) .2499(3) .4886(2) .0333(10)
 C13 1.0618(3) .1627(4) .4657(2) .0363(10)
 C14 1.1268(4) .1826(4) .4050(2) .0458(13)
 C15 1.0911(4) .2875(4) .3664(2) .0474(13)
 C16 .9937(4) .3753(5) .3887(2) .0482(13)
 C17 .9304(4) .3569(4) .4500(2) .0421(11)
 C18 .5452(4) .5487(3) .7735(2) .0343(11)
 C19 .3453(3) .5651(3) .6956(2) .0349(10)
 H1A .772(3) .342(3) .6517(15) .026(8)
 H1B .702(3) .199(3) .6498(15) .026(8)
 H3A .670(3) .086(3) .538(2) .024(8)
 H3B .696(4) .164(3) .478(2) .040(9)
 H4A .448(3) .151(3) .491(2) .036(9)
 H4B .490(4) .294(3) .495(2) .039(10)
 H4AA .469(3) .157(3) .6096(14) .017(7)
 H5 .246(4) .279(3) .556(2) .037(9)
 H6 .164(5) .321(4) .663(2) .068(13)
 H7A .327(4) .320(3) .756(2) .033(9)
 H7B .387(4) .199(4) .723(2) .046(10)
 H7AA .570(3) .334(3) .7260(15) .028(9)
 H9A .565(3) .653(3) .6464(14) .016(7)
 H9B .684(3) .547(3) .667(2) .024(8)
 H10A .622(3) .483(3) .5612(15) .021(7)
 H10B .465(3) .493(3) .572(2) .024(8)
 H11A .921(3) .141(4) .569(2) .033(9)
 H11B .946(3) .288(3) .587(2) .025(8)
 H13 1.090(4) .088(3) .492(2) .044(11)
 H14 1.180(6) .133(5) .390(3) .09(2)
 H15 1.134(4) .308(3) .325(2) .040(9)
 H16 .973(4) .449(4) .366(2) .049(11)
 H17 .865(5) .421(4) .468(2) .069(14)
 H18A .536(5) .650(4) .773(2) .068(13)
 H18B .474(4) .516(4) .803(2) .055(11)
 H18C .645(4) .513(3) .781(2) .032(8)
 H19A .356(4) .657(4) .703(2) .044(10)
 H19B .315(4) .545(4) .650(2) .050(11)
 H19C .288(4) .532(4) .730(2) .042(10)