#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000688.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_2000688
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1474
_journal_page_last  1476
loop_
_publ_author_name
 'Armah, A.E.'
 'Suzuki, K.'
 'Fujii, S.'
 'Tomita, K.-i.'
 'Asfari, Z.'
 'Vicens, J.'
_chemical_formula_moiety  'C45 H58 O5,C8 H10'
_chemical_formula_sum  'C53 H68 O5'
_chemical_formula_weight  787.03
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c m'
_symmetry_space_group_name_Hall  ?
_cell_length_a  9.3280(10)
_cell_length_b  19.348(3)
_cell_length_c  25.939(5)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  4681.4(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.114
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1704
_exptl_absorpt_coefficient_mu  0.510
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54178
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 O0 .4574(9) .5154(5) .75000
 O1A .9869(6) .5470(3) .6972(2)
 C1A .9720(8) .6131(4) .6772(3)
 C2A 1.0353(8) .6689(4) .7010(3)
 C3A 1.0112(8) .7340(4) .6803(3)
 C4A .9301(8) .7458(5) .6360(4)
 C5A .8756(8) .6878(4) .6116(4)
 C6A .8972(8) .6211(4) .6305(3)
 C7A 1.1220(12) .6611(6) .75000
 C8A .9019(10) .8196(4) .6149(4)
 C9A .9233(2) .8730(6) .6556(6)
 C10A .9944(2) .8339(7) .5716(7)
 C11A .7483(15) .8288(6) .6013(9)
 O1B .7068(6) .4972(3) .6903(2)
 C1B .615(10)  .5228(4) .6528(3)
 C2B .4692(9) .5173(4) .6590(3)
 C3B .3782(8) .5445(5) .6214(3)
 C4B .4307(9) .5748(4) .5768(4)
 C5B .5787(9) .5785(4) .5710(3)
 C6B .6730(8) .5530(4) .6093(3)
 C7B .8351(8) .5603(4) .6011(4)
 C8B .3265(9) .6035(5) .5360(4)
 C9B .2558(13) .6679(5) .5569(5)
 C10B .4001(11) .6183(7) .4848(4)
 C11B .2078(11) .5498(6) .5255(4)
 C12B .4045(9) .4817(5) .7048(4)
 C1X .5476(2) .7140(10) .75000
 C2X .4910(12) .7457(7) .7058(4)
 C3X .3959(13) .7998(7) .7023(5)
 C4X .3520(2) .8261(9) .75000
 C5X .6505(3) .6640(13) .75000
 C6X .3694(2) .8216(11) .6488(7)
 H3A 1.0538(8) .7750(4) .6973(3)
 H5A .8248(8) .6923(4) .5771(3)
 H7Aa 1.2028(12) .7008(6) .75000
 H7Ab 1.1694(12) .6137(6) .75000
 H3B .2728(8) .5429(4) .6272(3)
 H5B .6269(8) .6033(4) .5590(3)
 H7Ba .8598(8) .5716(4) .5603(3)
 H7Bb .8872(8) .5130(4) .6137(3)
 H9Ba .3273(11) .7025(5) .5664(4)
 H9Bb .1746(11) .6871(5) .5329(4)
 H9Bc .1924(11) .6584(5) .5884(4)
 H10Ba .4425(11) .5785(5) .4705(4)
 H10Bb .3194(11) .6363(5) .4579(4)
 H10Bc .4740(11) .6531(5) .4905(4)
 H11Ba .1463(11) .5442(5) .5595(4)
 H11Bb .1337(11) .5739(5) .4973(4)
 H11Bc .2503(11) .5048(5) .5145(4)
 H12a .2849(9) .4887(4) .7042(3)
 H12b .4372(9) .4268(4) .7046(3)
 H1Aa .9886(15) .54960(8) .7309(6)
 H1Ab .9081(2) .5268(9) .6981(7)
 H1Ba .6615(2) .4977(8) .7241(6)
 H1Bb .8165(2) .5225(8) .6912(7)
 H2X .5251(10) .7209(5) .6730(4)
 H4X .2713(2) .8688(8) .75000