Abstract
The tricyclic bromodydrin of humulene, C15H25OBr, is monoclinic, space-group P21/n, with unit-cell dimensions: a= 6·07 A, b= 19·54 A, c= 12·39 A, β= 93·47, and four formula units per cell. The crystal structure has been elucidated by a full three-dimensional X-ray study, based on 1922 independent reflection intensities, visually estimated from Weissenberg photographs. The bromine atom was used as a phase-determining heavy-atom; positional and anisotropic thermal parameters have been refined by block-diagonal least-squares methods to a final R-factor, for observed reflections only, of 0·100. The originally suggested stereochemistry has been corrected. The geometry and conformation of the fused ring system is discussed in some detail.
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