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The crystal and molecular structure of O-α-D-mannopyranosyl-(1→3)-O-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranose

✍ Scribed by Vincent Warin; Frano̧cois Baert; René Fouret; Gérard Strecker; Geneviève Spik; Bernard Fournet; Jean Montreuil


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
664 KB
Volume
76
Category
Article
ISSN
0008-6215

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✦ Synopsis


The crystal structure of a-D-Manp-(1 +3)-/?-D-Manp-( 1-+4)-a-D-GlcNAcp has been determined by the direct method using the multi-solution, tangentzformula, and "magic integer" procedures. The space group is P2,, and 2 molecules are in the unit cell with c1 = 9.894 ( 5), b = 10.372 (6), c = 11.816 (6) A, and p = 95.03" (6). The structure was refined to R 0.059 for 2099 reflections measured with MO Ka radiation. Difference synthesis showed all the hydrogen atoms, and indicated a partial (= 30 %) substitution of the a-anomer molecules by the /3-anomer molecules. The D-mannopyranose and the D-glucopyranose have the normal 4CI conformation; an intramolecular hydrogen-bond 0-3"-H .. _ . _ O-5' (2.703 A) stabilises the GlcNAc in relation to /?-D-mannopyranose.


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