#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005059.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_2005059
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	1527
_journal_page_last    	1529
_publ_section_title
;
Humilinolide D\\dag
;
_chemical_formula_sum    	'C31 H38 O11'
_chemical_formula_weight    	586.63
_symmetry_cell_setting    	orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'1/2-x,-y,1/2+z'
'-x,1/2+y,1/2-z'
'1/2+x,1/2-y,-z'
_symmetry_space_group_name_H-M    	'P 21 21 21'
_cell_length_a    	14.510(1)
_cell_length_b    	17.248(1)
_cell_length_c    	11.908(2)
_cell_angle_alpha    	90.
_cell_angle_beta    	90.
_cell_angle_gamma    	90.
_cell_volume    	2980(1)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.307
_cell_measurement_temperature    	296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O(1) -.1010(4) .2521(3) .1708(5) .080(2)
O(2) -.0912(4) .6691(3) .1978(5) .081(2)
O(3) .0317(3) .6407(3) .0996(4) .061(2)
O(4) .2552(4) .6514(3) -.1569(5) .091(2)
O(5) -.1966(3) .4745(3) -.0180(5) .066(2)
O(6) -.3502(4) .4727(4) -.0142(8) .127(4)
O(7) -.2200(4) .3722(3) .1980(6) .084(2)
O(8) .0067(3) .2691(3) -.2224(4) .067(2)
O(9) .1575(3) .2486(3) -.2525(5) .081(2)
O(10) .0473(4) .4730(3) -.2342(5) .080(2)
O(11) .0301(4) .3792(3) -.3649(5) .079(2)
C(1) -.0871(5) .3082(4) .1128(7) .059(3)
C(2) -.1488(5) .3781(4) .1158(7) .061(3)
C(3) -.1925(5) .3919(4) -.0003(7) .062(3)
C(4) -.1425(5) .3509(4) -.0981(7) .058(3)
C(5) -.0359(5) .3605(4) -.0735(6) .051(2)
C(6) .0285(5) .3419(4) -.1733(5) .051(2)
C(7) .0345(5) .4064(5) -.2618(8) .063(3)
C(8) .0021(5) .4425(3) .1603(6) .047(2)
C(9) .0578(5) .3770(4) .1086(6) .052(2)
C(10) -.0034(5) .3201(3) .0378(6) .050(2)
C(11) .1404(4) .4083(3) .0432(6) .051(2)
C(12) .1960(4) .4667(3) .1108(6) .053(2)
C(13) .1403(5) .5340(4) .1578(6) .051(2)
C(14) .0587(5) .5020(4) .2247(6) .051(2)
C(15) .0028(5) .5682(4) .2738(6) .056(2)
C(16) -.0252(6) .6285(4) .1894(6) .059(3)
C(17) .0980(5) .5818(4) .0617(6) .052(2)
C(18) .2025(5) .5832(4) .2328(6) .061(3)
C(19) .0459(5) .2422(4) .0221(6) .062(3)
C(20) .1660(5) .6248(4) -.0100(6) .057(3)
C(21) .1909(6) .6032(4) -.1138(7) .070(3)
C(22) .2166(6) .6918(4) .0127(8) .084(4)
C(23) .2699(7) .7047(5) -.0779(8) .091(4)
C(24) -.2803(6) .5083(5) -.0190(8) .078(4)
C(25) -.2720(7) .5938(5) -.0237(7) .102(4)
C(26) -.1747(5) .2670(4) -.1020(8) .079(3)
C(27) -.1692(5) .3891(5) -.2091(7) .079(3)
C(28) -.0892(5) .4437(4) .1578(6) .056(3)
C(29) .0808(6) .2265(5) -.2589(7) .070(3)
C(30) .0515(7) .1520(5) -.3074(9) .127(5)
C(31) .0441(7) .4354(6) -.4531(7) .116(5)
H(7A) -.2333(54) .3315(37) .2039(68) .060
H(3) -.2528 .3690 -.001 .060
H(5) -.0294 .4153 -.0622 .060
H(6) .0893 .3386 -.1421 .060
H(9) .0824 .3464 .1689 .060
H(11A) .1184 .4328 -.0240 .060
H(11B) .1797 .3656 .0236 .060
H(12A) .2244 .4400 .1725 .060
H(12B) .2428 .4876 .0626 .060
H(14) .0821 .4727 .2871 .060
H(15A) .0393 .5929 .3307 .060
H(15B) -.0519 .5470 .3071 .060
H(17) .0688 .5421 .0177 .060
H(18A) .1677 .6257 .2628 .060
H(18B) .2534 .6028 .1898 .060
H(18C) .2254 .5518 .2933 .060
H(19A) .0992 .2492 -.0247 .060
H(19B) .0047 .2059 -.0127 .060
H(19C) .0647 .2227 .0940 .060
H(21) .1608 .5576 -.1417 .060
H(22) .2201 .7270 .0751 .060
H(23) .3095 .7492 -.0741 .060
H(25A) -.3320 .6172 -.0246 .060
H(25B) -.2390 .6083 -.0904 .060
H(25C) -.2387 .6113 .0412 .060
H(26A) -.1592 .2418 -.0327 .060
H(26B) -.1449 .2409 -.1632 .060
H(26C) -.2403 .2655 -.1127 .060
H(27A) -.1499 .4423 -.2091 .060
H(27B) -.2348 .3867 -.2190 .060
H(27C) -.1394 .3621 -.2695 .060
H(28) -.1194 .4894 .1852 .060
H(30A) .1050 .1241 -.3320 .060
H(30B) .0116 .1612 -.3703 .060
H(30C) .0194 .1220 -.2519 .060
H(31A) .0393 .4095 -.5242 .060
H(31B) .1042 .4580 -.4460 .060
H(31C) -.0018 .4753 -.4485 .060
_cod_database_code 2005059