1,2,3,4-Tetra-O-acetyl-β-D-arabinopyranose: A Neutron Refinement and Comparison with X-Ray Refinement

Abstract

A neutron diffraction study of 1,2,3,4-tetra-O-acetyl-β-D-arabinopyranose, C13H18O9, has been carried out. Space group P21; Z 2; a 10.0779(5), b 9.0228(5), c 8.9659(5) �and β 101.965(5)°. Full-matrix least squares refinements varying anisotropic parameters for all atoms have led to a discrepancy value over all data of 0.058 and R w 0.054. This structure gives a precise determination of position and thermal motion parameters for all hydrogen atoms. The neutron diffraction results agree well with the X-ray results for non-hydrogen positional and thermal parameters.