Publication | Closed Access
The structure of laurenene, a new diterpene from the essential oil of Dacrydium cupressinum. Part 2. Crystal structure
35
Citations
0
References
1979
Year
Materials ScienceNew DiterpeneSpace Group P21Crystal StructureEngineeringSubstantial Steric CrowdingEssential OilStructure DeterminationStructure ElucidationOrganic ChemistryTwist Chair ConformationCrystal Structure DesignMain Group ChemistryChemistryCrystallographySynthetic ChemistryBiomolecular Engineering
The structure and absolute configuration of Laurenene (1), a compound possessing a new diterpene skeleton, have been determined by X-ray analysis of the bromo-derivative (2). Crystals are monoclinic, space group P21, with a= 7.318(1), b= 13.824(3), c= 9.731 (1)Å, β= 115.493(5)°, and Z= 2. The structure was solved by the heavy-atom method and the atomic parameters refined by block-diagonal least-squares calculations to R 0.043 over 1 208 independent reflections having F2 2σ(F2) from diffractometer measurements. The absolute configurathon was established by the anomalous dispersion effect. The cycloheptane ring adopts a twist chair conformation and the double bond suffers from substantial steric crowding.