title: Circular dichroism and absolute stereochemistry of
abstract: Enantiopure [8]paracyclophane-10-carbonitrile (1) and related compounds were prepared. The absolute stereochemistry of [CD(+)242.0]-1 was determined to be R by theoretical calculation of its CD spectrum using the pi-electron SCF-CI-DV MO method. The theoretical determination came to the same conclusion as the X-ray crystallographic method had previously given. Other related compounds show similar CD spectra leading to the R absolute stereochemistry.
authors.affiliation: Institute for Chemical Reaction Science, Tohoku University, Sendai, Japan.
authors.initials: T
authors.lastname: Nehira
authors.initials: T
authors.lastname: Soutome
authors.initials: N
authors.lastname: Harada