The crystal and molecular structure of<scp>D</scp>(+)-barium uridine-5'-phosphate

Abstract

The crystal structure of hydrated barium uridine-5'-phosphate has been determined by three-dimensional Patterson and Fourier syntheses. The anomalous scattering of Cu K radiation by the barium (and phosphorus) atoms made it possible to confirm the absolute configuration of the molecule. The structure was refined by block diagonal least squares which made use of two unique octants of intensity data by incorporating the complex parts of the atomic scattering factors. The final R value was 9-8 O/o for 1502 hki and 1000 hkl intensity data.