data_2005054
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	1458
_journal_page_last    	1460
_publ_section_title    	
;
Trinervinol\\dag
;
_chemical_formula_sum    	'C20 H34 O4'
_chemical_formula_weight    	338.49
_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    	6.997(1)
_cell_length_b    	11.887(2)
_cell_length_c    	23.201(4)
_cell_angle_alpha    	90
_cell_angle_beta    	90
_cell_angle_gamma    	90
_cell_volume    	1929.8(5)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.163
_exptl_crystal_density_meas    	1.20
_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
C(1) 1.0614(4) .4048(2) -.0659(1) .050(1)
C(2) 1.0640(4) .4626(2) -.1247(1) .052(1)
C(3) .8671(3) .4995(2) -.1423(1) .041(1)
C(4) .7758(3) .5823(2) -.0994(1) .040(1)
C(5) .7853(3) .5291(2) -.0381(1) .036(1)
C(6) .7056(4) .6047(2) .0095(1) .046(1)
C(7) .7008(4) .5458(2) .0662(1) .038(1)
C(8) .8007(3) .4532(2) .0780(1) .049(1)
C(9) .9412(3) .4036(2) .0359(1) .039(1)
C(10) .9797(3) .4791(2) -.0178(1) .036(1)
C(11) 1.1255(4) .3681(3) .0671(1) .052(1)
C(12) 1.0897(4) .2992(2) .1211(1) .052(1)
C(13) .9590(4) .3569(2) .1650(1) .039(1)
C(14) .7727(4) .3884(2) .1335(1) .041(1)
C(15) 1.0445(4) .4677(2) .1887(1) .039(1)
C(16) 1.2524(4) .4689(2) .2057(1) .053(1)
C(17) .9031(4) .2737(2) .2125(1) .050(1)
C(18) .5642(4) .5955(3) -.1157(1) .063(1)
C(19) .8701(5) .6993(2) -.1052(1) .057(1)
C(20) 1.1221(4) .5730(2) -.0022(1) .055(1)
O(1) .8805(3) .5465(2) -.1992(1) .053(1)
O(2) .9276(3) .5053(1) .2351(1) .056(1)
O(3) 1.2931(4) .3898(2) .2496(1) .087(1)
O(4) 1.0588(4) .2225(2) .2424(1) .073(1)
H1A .985(1) .338(1) -.09(1) .06
H1B 1.190(1) .385(1) -.056(1) .06
H2A 1.112(1) .411(1) -.153(1) .06
H2B 1.146(1) .527(1) -.123(1) .06
H3 .784(1) .435(1) -.142(1) .06
H5 .703(1) .465(1) -.044(1) .06
H6A .578(1) .627(1) -.001(1) .06
H6B .785(1) .670(1) .013(1) .06
H7 .621(1) .576(1) .096(1) .06
H9 .883(1) .337(1) .020(1) .06
H11A 1.194(1) .435(1) .078(1) .06
H11B 1.201(1) .324(1) .041(6) .06
H12A 1.032(1) .229(1) .110(1) .06
H12B 1.211(1) .285(1) .139(1) .06
H14A .697(1) .434(1) .159(1) .06
H14B .706(1) .320(1) .125(1) .06
H15 1.044(1) .518(1) .156(1) .06
H16A 1.285(1) .543(1) .219(1) .06
H16B 1.328(1) .451(1) .172(1) .06
H17A .829(1) .215(1) .195(1) .06
H17B .826(1) .313(1) .240(1) .06
H18A .555(1) .622(1) -.155(1) .06
H18B .505(1) .648(1) -.090(1) .06
H18C .501(1) .524(1) -.113(1) .06
H19A .802(1) .743(1) -.133(1) .06
H19B 1.001(1) .691(1) -.117(1) .06
H19C .866(1) .737(1) -.069(1) .06
H20A 1.249(1) .543(1) -.002(1) .06
H20B 1.091(1) .603(1) .035(1) .06
H20C 1.114(1) .632(1) -.030(1) .06
H1' .775(1) .534(1) -.224(1) .06
H2' .944(1) .573(1) .241(1) .06
H3' 1.407(1) .396(1) .263(1) .06
H4' 1.150(1) .276(1) .251(1) .06