Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals.

ABSTRACT: Five different electron density datasets obtained from conventional and synchrotron single crystal X-ray diffraction experiments are compared. The general aim of the study is to investigate the quality of data for electron density analysis from current state-of-the-art conventional sources, and to see how the data perform in comparison with high-quality synchrotron data. A molecular crystal of melamine was selected as the test compound due to its ability to form excellent single crystals, the light atom content, and an advantageous suitability factor of 3.6 for electron density modeling. These features make melamine an optimal system for conventional X-ray diffractometers since the inherent advantages of synchrotron sources such as short wavelength and high intensity are less critical in t

SUBMITTER: Vosegaard ES 

PROVIDER: S-EPMC10552600 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature