ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 23, Number 4
JKCSEZ 23(4)
August 20, 1979 

Empirical force-field calculations have been applied to eight 1,6-anhydropyra-noses, the crystal structures13~21 of which have been studied by single crystal X-ray or neutron diffraction analysis. The theoretical calculations reproduce closely the variations in conformation between 1C4 and EO, which are observed in the pyranose rings. The smaller conformational differences in the five-membered anhydro ring are not so well predicted. The calculated C-C bond lengths agree with those observed within 0.012Å with one exception. The C-O bond lengths show a larger deviation, 0.027Å. The non-hydrogen atom valence angles agree within 1.9。.