U. Luning et al., CONCAVE REAGENTS - PART 27 - STERIC REQUIREMENTS OF INTRAANNULAR SUBSTITUENTS IN A,D-BRIDGED CALIX[6]ARENES, Perkin transactions. 2, (6), 1998, pp. 1313-1317
A series of A,D-m-xylylene bridged calix[6]arenes 5 carrying substitue
nts of different size in 2-position of the bridge have been investigat
ed by dynamic NMR spectroscopy and by force field methods. Molecular m
echanics calculations indicate a bean shaped conformation as the globa
l energy minimum in which the calixarene scaffold adopts a half-pinche
d/half-winged arrangement.