Crystal and molecular structure of cis-1,1-bismethoxycarbonyl-4a-methyldecahydronaphthalene

Abstract

Single-crystal X-ray analysis of the title compound has established its molecular dimensions and preferred conformation. Crystals are monoclinic, space group P2₁/c, a= 11·52(2), b= 7·68(1), c= 20·10(3)Å, β= 125·58(20)°, Z= 4. The structure was solved by direct phase-determining methods and refined by full-matrix least-squares calculations to R 0·103 over 2156 independent reflections. The presence of 1,3-diaxial interactions leads to significant deviations in bond lengths and valency angles from their normal values. The CO ester groups are approximately in a syn-planar orientation with respect to the C(α)–C(β) bonds.