Small Molecules in Self-Crystals and Protein-Carbohydrate Complexes

4 INFORMATION FROM SMALL MOLECULES IN SELF-CRYSTALS AND PROTEIN-CARBOHYDRATE COMPLEXES 

Another way to learn of the likely molecular shapes for cellulose depends on extrapolation of the shapes that are found in crystal structures of molecules such as cellobiose (Chu and Jeffrey 1968), a-cellobiose complexed with Nal and HjO (Peralta-Inga et al. 2002), cellobiose octaacetate (Leung et al. 1976) and related compounds (French and Johnson 2004a). Similar, although less accurate. 

The conversion is performed using equations developed by Shimanouchi and Mizushima (1955). 

The variations in the values of n and h due to the variations in ring shape and X are one reason that these conversion maps have seen Httle use in recent work. Still, because of the similarity of the ring shapes and the limited range of X, these approximations are reasonable. 

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