Acta Cryst. (2009). C65, o253-o256 [ doi:10.1107/S0108270109014528 ]
Abstract: Two isomeric cucurbitane derivatives, 3![[beta]](/logos/entities/beta_rmgif.gif)
,7![[alpha]](/logos/entities/alpha_rmgif.gif)
,11-triacetoxycucurbit-5(10)-ene, (I), and 3,7,11-triacetoxy-5-cucurbit-1(10)-ene, (II), both C36H58O6, have their single endocyclic C=C double bonds in different positions. This results in differences in the conformation of the four-ring system, which is close to a half-chair/half-chair/chair/half-chair arrangement in (I) and to a half-chair/twist-boat/boat/half-chair arrangement in (II). The orientation of some of the substituents is also different; the 3-acetoxy group is in an equatorial position in (I) but in an axial position in (II), while the 11-acetoxy group occupies an axial position in (I) and an equatorial position in (II). The asymmetric unit of (I) contains two symmetry-independent molecules which do not differ significantly, being related by a pseudo-twofold axis of symmetry. In both structures, the aliphatic chain fragments are disordered and the disorder persists at lower temperatures.
Formula: Two forms of C36H58O6
 |   Structure factor file (CIF format) (352.6 kbytes) |
| Structure factor file (CIF format) (199.7 kbytes) |
| Structure factor file (CIF format) (385.4 kbytes) |
| Structure factor file (CIF format) (208.9 kbytes) |
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