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B3LYP/6-311++G** study of α- and β-d-glucopyranose and 1,5-anhydro-d-glucitol: 4C1 and 1C4 chairs, 3,OB and B3,O boats, and skew-boat conformations

✍ Scribed by M. Appell; G. Strati; J.L. Willett; F.A. Momany

Book ID: 108080091
Publisher: Elsevier Science
Year: 2004
Tongue: English
Weight: 775 KB
Volume: 339
Category: Article
ISSN: 0008-6215
DOI: 10.1016/j.carres.2003.10.014

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The structures of the title compounds (2b and 3) have been investigated in the solid state by X-ray methods. The crystals of 2b are monoclinic, space group P2,, and of 3 orthorhombit, space grtup P2,2,2,. The cell dimensions are: for 2b, a = 9.910(2), b = 11;745W, c = 11.810(3) A, /3 = 97.32(l)"; a