Startseite The modulated structure of 4-hydroxyphenyl 6-O-[(3R)-3,4-dihydroxy-2-methylenebutanoyl]-β-D-glucopyranoside, C17H22O10
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The modulated structure of 4-hydroxyphenyl 6-O-[(3R)-3,4-dihydroxy-2-methylenebutanoyl]-β-D-glucopyranoside, C17H22O10

Veröffentlicht/Copyright: 28. Juli 2010

Abstract

The crystal structure of 4-hydroxyphenyl 6-O[(3-R)-3,4-dihydroxy-2-methylenebutanoyl]-β-D-glucopyranoside, C17H22O10, P21, a = 12.121(2) Å, b = 5.090(1) Å, c = 31.316(4) Å, β = 90.61(1)°, Z = 4, is a modulation of an idealised parent structure of orthorhombic P212121 symmetry and can be described as two pseudo symmetry related substructures of exact P1211 symmetry. Each substructure contains hydrogen-bonded layers perpendicular to c* and layers from separate substructures alternate along c. To a first approximation the layers of separate substructures are essentially geometrically identical, the modulation being dominantly a distortion of the unit cell and not the layers. A final value of R(F) = 0.062 was obtained for the 2397 independent reflections used in refinement, I(h) > 3σ(I(h)).

Published Online: 2010-7-28
Published in Print: 1998-2-1

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