Crystal structure of jatrophone dihydrobromide
- 1 January 1971
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society B: Physical Organic
- p. 1598-1602
- https://doi.org/10.1039/j29710001598
Abstract
The molecular structure and absolute configuration of jatrophone dihydrobromide, C20H26Br2O3, have been established by a three-dimensional single-crystal X-ray analysis. The crystals are orthorhombic, space group P212121 and the cell constants are a= 21·974(3), b= 12·486(3), c= 7·127(2)Å, with Z= 4. The structure was solved by the heavy-atom method and refined by Fourier and least-squares techniques to R= 0·047 for 864 independent reflections measured by diffractometry. The absolute configuration was established both by examination of Friedel pairs and by independent least-squares refinement of the two possible enantiomers, taking into account the anomalous dispersion effect from the bromine atoms.Keywords
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