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 |
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Format: | Artikel |
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-5C-6 bond. |
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ISSN: | 0008-6215 1873-426X |
DOI: | 10.1016/0008-6215(86)84002-2 |