#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000403.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_2000403
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2251
_journal_page_last  2253
loop_
_publ_author_name
 'Sekar, K.'
 'Parthasathy, S.'
 'Kundu, A.B.'
 'Barik, B.R.'
_chemical_formula_moiety  'C32 H50 O5'
_chemical_formula_sum  'C32 H50 O5'
_chemical_formula_weight  514.7
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  ?
_cell_length_a  9.795(2)
_cell_length_b  16.452(2)
_cell_length_c  18.835(2)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  3035.2(2)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.13
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1128
_exptl_absorpt_coefficient_mu  0.552
_diffrn_radiation_type  'Cu K\a'
_diffrn_radiation_wavelength  1.5418
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C(1) .1670(4) .3655(2) -.0486(2) .0510(10)
 C(2) .2837(4) .4184(2) -.0248(2) .0470(10)
 C(3) .3765(4) .4430(3) -.0892(2) .0530(10)
 C(4) .3418(4) .5338(2) -.1080(2) .0550(10)
 C(5) .2177(4) .5517(2) -.0611(2) .0450(10)
 C(6) .1729(4) .6373(2) -.0457(2) .0580(10)
 C(7) .0331(4) .6349(2) -.0091(2) .0550(10)
 C(8) .0290(3) .5846(2) .0603(2) .0390(10)
 C(9) .0966(3) .4989(2) .04650(10)
         .0340(10)
 C(10) .2357(3) .5013(2) .0072(2) .0390(10)
 C(11) .0958(4) .4471(2) .1140(2) .0450(10)
 C(12) -.0469(4) .4331(2) .1405(2) .0450(10)
 C(13) -.1204(3) .5135(2) .15410(10)
           .0370(10)
 C(14) -.1240(3) .5677(2) .0853(2) .0380(10)
 C(15) -.1996(4) .6488(2) .1017(2) .0480(10)
 C(16) -.3368(4) .6392(2) .1391(2) .0500(10)
 C(17) -.3223(3) .5880(2) .2064(2) .0450(10)
 C(18) -.2633(3) .5053(2) .18640(10)
           .0390(10)
 C(19) -.2858(4) .4495(2) .2516(2) .0480(10)
 C(20) -.3155(5) .3610(2) .2372(2) .0650(10)
 C(21) -.4096(5) .4906(3) .2910(2) .0670(10)
 C(22) -.4533(4) .5630(2) .2459(2) .0570(10)
 C(23) .4612(5) .5925(3) -.0973(3) .082(2)
 C(24) .3010(5) .5368(3) -.1867(2) .078(2)
 C(25) .3550(4) .5286(3) .0555(2) .0560(10)
 C(26) .1057(4) .6331(2) .1181(2) .0570(10)
 C(27) -.2083(4) .5256(2) .0261(2) .0480(10)
 C(28) -.2362(4) .6323(2) .2615(2) .0550(10)
 C(29) -.2695(12) .3049(4) .2825(6) .175(5)
 C(30) -.4012(12) .3392(5) .1823(4) .178(4)
 O(31) -.2693(5) .7104(2) .2648(2) .0950(10)
 C(32) -.2041(9) .7586(3) .3196(3) .130(3)
 O(33) .1395(4) .3079(2) -.0012(2) .082(2)
 C(34) .0173(9) .2605(4) -.0130(3) .123(3)
 O(35) .5151(3) .4295(2) -.0680(2) .0750(10)
 O(36) .1023(4) .3739(2) -.10200(10)
           .0760(10)
 O(37) -.1524(3) .6027(2) .30000(10)
           .0730(10)
 H1C2 .340(5) .388(2) .0110(10)
         ?
 H1C3 .360(3) .408(2) -.1370(10)
          ?
 H1C5 .143(5) .525(2) -.083(2) ?
 H1C6 .242(6) .672(2) -.016(2) ?
 H2C6 .155(5) .672(3) -.090(2) ?
 H1C7 -.036(4) .616(2) -.042(2) ?
 H2C7 .003(5) .693(3) .003(2) ?
 H1C9 .031(4) .472(2) .014(2) ?
 H1C11 .147(5) .396(3) .106(2) ?
 H2C11 .146(7) .469(4) .152(2) ?
 H1C12 -.047(5) .404(3) .186(2) ?
 H2C12 -.107(4) .398(2) .114(2) ?
 H1C13 -.067(5) .536(3) .187(2) ?
 H1C15 -.145(4) .682(2) .131(2) ?
 H2C15 -.218(5) .680(3) .054(2) ?
 H1C16 -.397(3) .613(2) .1080(10)
           ?
 H2C16 -.371(4) .694(2) .1490(10)
           ?
 H1C18 -.324(5) .485(2) .152(2) ?
 H1C19 -.197(4) .453(2) .284(2) ?
 H1C21 -.493(5) .455(3) .304(2) ?
 H2C21 -.376(3) .513(2) .342(2) ?
 H1C22 -.497(5) .613(2) .273(2) ?
 H2C22 -.520(4) .551(2) .208(2) ?
 H1C23 .440(3) .650(2) -.1130(10)
           ?
 H2C23 .532(4) .575(2) -.1310(10)
           ?
 H3C23 .509(4) .589(2) -.0490(10)
           ?
 H1C24 .386(3) .530(2) -.2190(10)
           ?
 H2C24 .258(5) .588(2) -.200(2) ?
 H3C24 .213(5) .501(2) -.199(2) ?
 H1C25 .362(5) .587(3) .062(2) ?
 H2C25 .341(4) .502(2) .104(2) ?
 H3C25 .436(5) .511(3) .035(2) ?
 H1C26 .114(4) .603(2) .161(2) ?
 H2C26 .063(5) .686(3) .123(2) ?
 H3C26 .202(5) .647(3) .103(2) ?
 H1C27 -.167(5) .477(2) .009(2) ?
 H2C27 -.219(4) .558(2) -.011(2) ?
 H3C27 -.299(5) .509(3) .040(2) ?
 H1C29 -.194(4) .331(2) .315(2) ?
 H2C29 -.217(5) .262(3) .253(2) ?
 H1C30 -.502(4) .346(2) .189(2) ?
 H2C30 -.370(5) .339(3) .132(3) ?
 H3C30 -.374(5) .276(2) .194(2) ?
 H1C32 -.244(3) .814(2) .314(2) ?
 H2C32 -.098(5) .749(2) .314(2) ?
 H3C32 -.221(5) .726(3) .362(2) ?
 H1C34 .005(3) .216(2) .029(2) ?
 H2C34 .023(5) .231(2) -.064(2) ?
 H3C34 -.072(4) .301(2) -.013(2) ?
 H1O35 .623(4) .441(2) -.062(2) ?