data_2004933
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1209
_journal_page_last     1211
_publ_section_title
;
(+-)-(3aR*,6S*,7S*,14aR*)-2,3,3a,7,8,9,10,11,12,13,14,14a-
Dodecahydro-1H,6H-3a,6-epoxy-7,14a-methanocyclopentacyclotridecen-15-one
;
_chemical_formula_sum     'C17 H24 O2'
_chemical_formula_weight     260.37
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'x,-y,1/2+z'
'-x,-y,-z'
'-x,y,1/2-z'
'1/2+x,1/2+y,z'
'1/2+x,1/2-y,1/2+z'
'1/2-x,1/2-y,-z'
'1/2-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M     'C 2/c'
_cell_length_a     31.208(2)
_cell_length_b     8.7588(4)
_cell_length_c     10.9435(11)
_cell_angle_alpha     90
_cell_angle_beta     101.706(3)
_cell_angle_gamma     90
_cell_volume     2929.1(4)
_cell_formula_units_Z     8
_exptl_crystal_density_diffrn     1.181
_cell_measurement_temperature     298
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
O10  .13098(5)  .0533(2)  .27729(13) 4.85(8)
O11  .04541(4)  .1017(3)  .10242(13) 3.95(6)
C1  .11355(8)  .2439(2)  .1165(2) 4.36(9)
C2  .14303(8)  .2806(3)  .0230(3) 5.73(12)
C3  .19331(10)  .2757(4)  .0795(3) 7.5(2)
C4  .21278(8)  .1218(4)  .1277(3) 6.6(2)
C5  .20764(7)  -.0076(4)  .0329(3) 6.4(2)
C6  .20459(9) -0.1720(4)  .0786(3) 7.4(2)
C7  .17361(9) -0.2134(3)  .1609(3) 6.64(14)
C8  .12430(7) -0.1994(3)  .1120(2) 4.70(10)
C9  .10892(6)  -.0402(2)  .0677(2) 3.51(8)
C10  .12085(6)  .0820(2)  .1666(2) 3.53(9)
C11  .05824(6)  -.0153(2)  .0236(2) 3.71(9)
C12  .04848(7)  .0608(3) -0.1022(2) 4.59(11)
C13  .05123(7)  .2091(3) -.0828(2) 5.12(11)
C14  .06193(7)  .2394(2)  .0555(2) 4.39(10)
C15  .04279(11)  .3741(3)  .1112(3) 7.1(2)
C16  .07088(13)  .3852(4)  .2433(4) 8.1(2)
C17  .11743(10)  .3623(3)  .2227(3) 6.64(14)
H2A  .137  .196 -0.050 6.5
H2B  .134  .392 -0.016 6.5
H3A  .199  .355  .157 8.2
H3B  .210  .314  .009 8.2
H4A  .197  .086  .201 7.3
H4B  .247  .137  .165 7.3
H5A  .178  .015 -0.036 7.2
H5B  .236 -0.002 -0.011 7.2
H6A  .237 -0.203  .129 8.1
H6B  .196 -0.242 -0.004 8.1
H7A  .180 -0.330  .190 7.4
H7B  .182 -0.139  .241 7.4
H8A  .108 -0.230  .187 5.4
H8B  .115 -0.278  .035 5.4
H9  .124 -0.012 -0.010 4.3
H11  .041 -0.121  .026 4.5
H12  .040  .004 -0.192 5.3
H13  .047  .296 -0.154 5.8
H15A  .046  .477  .059 7.8
H15B  .009  .355  .114 7.8
H16A  .063  .295  .302 8.9
H16B  .067  .494  .286 8.9
H17A  .129  .469  .194 7.3
H17B  .139  .322  .306 7.3