Ab initio structure determination of norbornene from powder diffraction data using molecular packing analysis method

Abstract

The previously unknown crystal structre of the low temperature ordered phase of norbornene was solved from a set of powder diffraction data with severe preferred orientation collected on a laboratory X-ray diffractometer by first predicting the starting model by means of molecular packing analysis method, which was then refined against the experimental data by means of Rietveld method.