Circular dichroism and absolute stereochemistry of
Nehira; Soutome; Harada
Enantiomer 5(1): 139-144
2000
ISSN/ISBN: 1024-2430 PMID: 10763881 Document Number: 518661
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.