H. Nozaki, A. Matsuo, M. Nakayama
Feb 1, 1978
Citations
0
Influential Citations
4
Citations
Journal
Bulletin of the Chemical Society of Japan
Abstract
The mono p-bromobenzoate of the diol derived from α-pompene has been studied by X-ray crystal structure analysis and determined to be 9-p-bromobenzoxy-8-hydroxy-1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undecane. The crystals are of the orthorhombic space group P212121, a=46.53(2), b=12.20(2), c=7.39(2) A, Z=8, and hence there are two independent molecules per asymmetric unit. The structure was solved by the heavy-atom methods, and refined by block-diagonal least-squares calculations to a final R value of 0.103 for 2493 observed reflections. The structures of the two independent molecules in the asymmetric unit are quite similar. Both molecules contain a tricyclo[5.3.1.02,6]undecane ring in which three fused rings (cyclohexane, cyclopentane, and cyclopentane) are present. The overall configuration of these three fused rings can be described as a “cis” type. The conformation of the cyclohexane ring is of a chair form, and the two cyclopentane rings exhibit envelope forms. Based on the anomalous X-ray dispersi...