Schuermann, Christian J.Christian J.SchuermannProepper, KevinKevinProepperWagner, T.T.WagnerDittrich, BirgerBirgerDittrich2018-11-072018-11-072012https://resolver.sub.uni-goettingen.de/purl?gro-2/26392The structure of ceftazidime pentahydrate, a third generation cephalosporin antibiotic, is reported. Data collection was carried out in a remarkably short time with synchrotron radiation and the latest detector technology, illustrating that single-crystal X-ray diffraction can be used as a technique for screening hundreds of compounds in a short amount of time. Structure refinement made use of invarioms, namely non-spherical scattering factors, which allow more information to be derived from a diffraction experiment. Properties that can be screened are bond-topological parameters, empirical hydrogen-bond energies, molecular dipole moments and electrostatic potentials.journal_article10.1107/S010876811201783122610682000304250200011