#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000207.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_2000207
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2043
_journal_page_last  2047
loop_
_publ_author_name
 'Bracke, B.'
 'Dang, Y.'
 'Lenstra, A.T.H.'
 'Geise, H.J.'
_chemical_formula_sum  'C26 H24 O6 Ti1'
_chemical_formula_weight  480.4
_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  15.739(5)
_cell_length_b  7.4660(10)
_cell_length_c  20.286(5)
_cell_angle_alpha  90
_cell_angle_beta  97.21(2)
_cell_angle_gamma  90
_cell_volume  2368.4(2)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.347
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1000
_exptl_absorpt_coefficient_mu  39.2
_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
 Ti -.06898(7) .18840(10)   .34398(4)
 C(1) -.2102(4) .2505(8) .3611(4)
 C(2) -.1738(4) .1659(8) .4166(3)
 C(3) -.1112(4) .2740(10)   .4461(3)
 C(4) -.1116(4) .4272(8) .4089(3)
 C(5) -.1721(4) .4119(9) .3567(3)
 C(6) -.1224(4) -.1022(8) .3218(3)
 C(7) -.0567(4) -.1096(7) .3747(3)
 C(8) .0188(4) -.0691(8) .3498(4)
 C(9) .0001(4) -.0336(9) .2847(3)
 C(10) -.0852(5) -.0547(9) .2672(3)
 C(11) -.0981(4) .3969(8) .2080(3)
 C(12) -.0309(4) .4973(8) .1806(3)
 C(13) -.0494(5) .5960(10)    .1230(3)
 C(14) .0144(5) .6910(10)   .0989(3)
 C(15) .0961(5) .6850(10)   .1273(3)
 C(16) .1138(4) .5855(9) .1848(3)
 C(17) .0503(4) .4944(8) .2103(3)
 C(18) .0989(4) .2832(8) .4290(2)
 C(19) .1680(3) .4227(8) .4300(2)
 C(20) .1642(4) .5629(8) .3868(3)
 C(21) .2296(4) .6877(9) .3883(3)
 C(22) .2991(4) .6655(9) .4331(3)
 C(23) .3057(4) .5250(9) .4776(3)
 C(24) .2393(4) .4029(8) .4762(3)
 C(25) .2610(5) .6760(10)   .1996(4)
 C(26) .3920(5) .3860(10)   .5663(4)
 O(1) -.0710(3) .3142(6) .2627(2)
 O(2) -.1708(3) .3884(7) .1835(2)
 O(3) .0433(2) .2896(5) .3773(2)
 O(4) .0988(3) .1763(6) .4741(2)
 O(5) .1946(3) .5747(7) .2187(2)
 O(6) .3806(3) .5181(7) .5188(2)