Abstract
The crystal structure of cellulose triacetate I (CTA I), obtained by heterogeneous acetylation of ramie cellulose I, has been determined by a combined X-ray diffraction and stereochemical model analysis. The structure packs in a two chain, orthogonal unit cell with dimensions a = 23.63 A ̊ , b = 6.27 A ̊ , c ( fibre repeat) = 10.43 A ̊ , but with P2 1 symmetry. The two chains pack with parallel polarity and the two-fold screw axes coincide with the chain axes. In these respects, the structure of CTA I is similar to that of cellulose I. The conformations of the chain and of the glucose residue are similar to the conformation of the crystalline cellotriose undecaacetate, in that the ф, ψ angles, the 0(6) rotational positions, acetate positions and bond and conformation angles are comparable in both structures. The reliability of the structure determination of CTA I is indicated by the crystallographic R = 0.242.
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