#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000550.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_2000550
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1857
_journal_page_last  1859
loop_
_publ_author_name
 'Baures, P.W.'
 'Miski, M.'
 'Eggleston, D.S.'
_chemical_formula_sum  'C26 H34 O6'
_chemical_formula_weight  442.56
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  ?
_cell_length_a  7.766(6)
_cell_length_b  11.809(4)
_cell_length_c  27.219(11)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  2496.5(12)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.177
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  952
_exptl_absorpt_coefficient_mu  0.0772
_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
 O3 .3406(4) .4948(2) .83020(10)
 O6 .0546(3) .1193(2) .94988(8)
 O8 .0914(3) -.0881(2) .87180(9)
 O16 .6244(5) .4988(3) .8435(2)
 O18 -.0313(5) .2608(3) .99900(10)
 O20 .3433(4) -.0867(3) .91170(10)
 C1 .3258(6) .1909(3) .79190(10)
 C2 .3594(6) .3168(3) .78600(10)
 C3 .3384(5) .3725(3) .83660(10)
 C4 .1695(5) .3388(3) .85980(10)
 C5 .1722(5) .2544(3) .89280(10)
 C6 .0165(5) .1869(3) .90670(10)
 C7 -.0358(5) .1020(3) .86640(10)
 C8 .1201(5) .0254(3) .85240(10)
 C9 .1590(6) .0147(3) .79690(10)
 C10 .1947(6) .1305(3) .77480(10)
 C11 -.2029(5) .0386(3) .87880(10)
 C12 -.2698(6) -.0271(3) .8342(2)
 C13 -.3421(5) .1183(3) .8977(2)
 C14 .0659(7) .1697(4) .7375(2)
 C15 .0091(6) .3882(3) .83820(10)
 C16 .4914(6) .5475(3) .8360(2)
 C17 .4715(7) .6733(4) .8300(2)
 C18 .0279(5) .1674(3) .99390(10)
 C19 .0817(7) .0911(4) 1.0346(2)
 C20 .2061(5) -.1311(3) .90330(10)
 C21 .1483(5) -.2392(3) .92550(10)
 C22 0-.0017(6) -.2926(3) .91030(10)
 C23 -.0494(7) -.3942(4) .9315(2)
 C24 .0471(8) -.4408(3) .9683(2)
 C25 .1985(8) -.3872(4) .9838(2)
 C26 .2492(7) -.2862(4) .9622(2)
 H1 .4152 .1478 .8110
 H2 .2749 .3495 .7622
 H3 .4791 .3293 .7734
 H4 .4339 .3466 .8585
 H5 .2840 .2358 .9091
 H6 -.0781 .2426 .9121
 H7 -.0663 .1445 .8355
 H8 .2225 .0638 .8672
 H9 .0567 -.0197 .7800
 H10 .2614 -.0349 .7920
 H11 -.1748 -.0164 .9053
 H12 -.1780 -.0786 .8219
 H13 -.3733 -.0718 .8440
 H14 -.3024 .0279 .8077
 H15 -.2971 .1606 .9268
 H16 -.3747 .1730 .8713
 H17 -.445 .0732 .9076
 H18 .1000 .2469 .7252
 H19 .0626 .1158 .7093
 H20 -.0509 .1748 .7529
 H21 -.0932 .3599 .8570
 H22 .0135 .4728 .8407
 H23 -.0011 .3653 .8032
 H24 .5866 .7103 .8343
 H25 .4261 .6904 .7965
 H26 .3901 .7022 .8554
 H27 .0570 .1287 1.0666
 H28 .0090 .0193 1.0326
 H29 .2036 .0716 1.0315
 H30 -.0740 -.2579 .8839
 H31 -.1564 -.4332 .9203
 H32 .0118 -.5142 .9832
 H33 .2693 -.4220 1.0105
 H34 .3566 -.2473 .9733