Crystal structure and absolute configuration of (3aR,30aR,7aS,70aS)-2,2,20,20-tetramethyl- 3a,6,7,7a,30a,60,70,70a-octahydro-4,40-bi[1,3- benzodioxolyl], obtained from a Pd-catalyzed homocoupling reaction

Abstract

The absolute configuration, i.e. (3aR,30aR,7aS,70aS), of the title compound, C18H26O4, synthesized via a palladium-catalyzed homocoupling reaction, was determined on the basis of the synthetic pathway and was confirmed by X-ray diffraction. The homocoupled molecule is formed by two chemically identical moieties built up from two five- and six-membered fused rings. The supramolecular assembly is controlled mainly by C—H O interactions that lead to the formation of hydrogen-bonded chains of molecules along the [001] direction, while weak dipolar interactions and van der Waals forces hold the chains together in the crystal structure.