Crystal structure and absolute configuration of caryophyllene chlorohydrin
- 1 January 1974
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 3,p. 228-232
- https://doi.org/10.1039/p29740000228
Abstract
The structure of caryophyllene chlorohydrin (V) has been determined by a three-dimensional X-ray diffraction study. Crystals are trigonal, a= 13·12, c= 7·11Å, space group P31, with one molecule in the asymmetric unit. Anisotropic least-squares refinement, based on 1150 visually estimated intensities, has reduced R to 0·112. The molecule is geometrically analogous to norcaryophyllene alcohol. Its constitution and absolute stereochemistry provide evidence for a novel transannular cyclisation.Keywords
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