A series of A,D-m-xylylene bridged calix[6]arenes 5 carrying substituents of different size in 2-position of the bridge have been investigated by dynamic NMR spectroscopy and by force field methods. Molecular mechanics calculations indicate a bean shaped conformation as the global energy minimum in which the calixarene scaffold adopts a half-pinched/half-winged arrangement.
U. Lüning, H. Ross and I. Thondorf, J. Chem. Soc., Perkin Trans. 2, 1998, 1313 DOI: 10.1039/A801761A
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