The X-ray crystal structure of dl-(1,3,5/2,4)-1,2,3,4-tetraacetoxy-5-(acetoxymethyl)cyclohexane

The crystal and molecular structure of thepseudo-sugar dl-(1,3,5/2,4)-1.2.3.4-tetraacetoxy-5-(acetoxymethyl)cyclohexane (“pseudo-β- dl-glucopyranose pentaacetate”) has been determined by X-ray diffraction and statistical-phasing procedures. The data were refined to R = 0.049 and R w = 0.054 over 154...

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Veröffentlicht in:Carbohydrate research 1986-12, Vol.158, p.7-12
Hauptverfasser: Watkins, Steven F., Abboud, Khalil A., Nghiem, Nhuan P., Voll, Ronald J., Younathan, Ezzat S.
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Sprache:eng
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Zusammenfassung:The crystal and molecular structure of thepseudo-sugar dl-(1,3,5/2,4)-1.2.3.4-tetraacetoxy-5-(acetoxymethyl)cyclohexane (“pseudo-β- dl-glucopyranose pentaacetate”) has been determined by X-ray diffraction and statistical-phasing procedures. The data were refined to R = 0.049 and R w = 0.054 over 1543 reflections with I greater than 3σ(I). The racemic crystals are monoclinic, space group P2 1/ c, a = 11.580(2), b = 8.276(1), c = 22.031(2) Å, β = 104.33(1)°, D c = 1.26g/cm 3, with four molecules in the unit cell. The ring has a 4 C 1( d), 1 C f( l) conformation, with puckering amplitude of 0.582(4) Å, a pseudorotation angle of −168.35°, and a gg orientation about the C-5C-6 bond.
ISSN:0008-6215
1873-426X
DOI:10.1016/0008-6215(86)84002-2