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X-ray analysis of 2,7-anhydro-l-glycero-β-d-manno-octulopyranose

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Abstract

The crystal and molecular structure of 2,7-anhydro-l-glycero-β-d-manno-octulopyranose has been determined by X-ray analysis. Crystal data area = 9.590(4),b = 7.404(5),c=7.363(4) Å, β = 101.79(3)°,Z = 2, space groupP21. The phase problem was solved by direct methods, using diffractometer data, and the structure was refined by least-squares techniques to a finalR value of 3.7%. The anhydro ring system is built up by the pyranosyl chair in the1 C 4 conformation, the five-membered ring in theE 0 conformation, and a boat-shaped seven-membered ring. Potential energy calculations show that the positions of the terminal CH2OH groups are determined by hydrogen bonds.

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Authors and Affiliations

  1. Institut für Kristallographie der Freien Universität Berlin, Takustr. 6, 1, Berlin 33, Germany

    H. -J. Hecht, P. Luger & R. Reinhardt

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  1. H. -J. Hecht
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  2. P. Luger
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  3. R. Reinhardt
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Hecht, H.J., Luger, P. & Reinhardt, R. X-ray analysis of 2,7-anhydro-l-glycero-β-d-manno-octulopyranose. Journal of Crystal and Molecular Structure 7, 161–171 (1977). https://doi.org/10.1007/BF01371468

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  • DOI: https://doi.org/10.1007/BF01371468

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