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| - Crystal Structure and Hydrogen Bonding System in CelluloseIα from Synchrotron X-ray and Neutron Fiber Diffraction
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| - The crystal and molecular structure, together with the hydrogen-bonding system in cellulose Iα,has been determined using atomic-resolution synchrotron and neutron diffraction data recorded from orientedfibrous samples prepared by aligning cellulose microcrystals from the cell wall of the freshwater algaGlaucocystis nostochinearum. The X-ray data were used to determine the C and O atom positions. Theresulting structure is a one-chain triclinic unit cell with all glucosyl linkages and hydroxymethyl groups (tg)identical. However, adjacent sugar rings alternate in conformation giving the chain a cellobiosyl repeat.The chains organize in sheets packed in a “parallel-up” fashion. The positions of hydrogen atoms involvedin hydrogen-bonding were determined from a Fourier-difference analysis using neutron diffraction datacollected from hydrogenated and deuterated samples. The differences between the structure and hydrogen-bonding reported here for cellulose Iα and previously for cellulose Iβ provide potential explanations for thesolid-state conversion of Iα → Iβ and for the occurrence of two crystal phases in naturally occurring cellulose.
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