FEASIBILITY OF CHIRAL DISCRIMINATION USING X-RAY ANOMALOUS SCATTERING

The paper discusses several feasibility prediction criteria with parti cular emphasis on light atom molecules. For several examples of refine d absolute structures, feasibility predictions are calculated and comp ared with a posteriori calculated values of the Bijvoet ratio. An exte nsion of the Pathasarathy table of the expected value of the Bijvoet r atio is given for parameter ranges corresponding to light anomalous sc atterers. Practical conclusions are drawn for absolute structure deter mination of compounds containing oxygen or nitrogen as anomalous scatt erers. (C) 1993 Wiley-Liss, Inc.