Identification and Elimination of Pitfalls in Single-Crystal X-ray Diffraction Structure Determination: A Case Study

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dc.contributor.advisorBényei, Atilla
dc.contributor.authorIurgenson, Nika
dc.contributor.departmentDE--Természettudományi és Technológiai Kar--Kémiai Intézet
dc.date.accessioned2025-06-13T09:43:07Z
dc.date.available2025-06-13T09:43:07Z
dc.date.created2025
dc.description.abstractThe focus of the current thesis is to reveal and explain the common pitfalls that crystallographers can encounter on the measurement and further stages of structure research, as well as to suggest ways of resolving these issues for attaining highly consistent and reliable structure solutions. The current writing is backed up by practical examples of complete structure determination of molecules with code names NA-134 and NA-138. The thesis includes detailed consideration of structure solution steps from the moment of crystal selection to final structure refinement and validation. These molecules are the novel carbohydrate-based compounds possessing the potential to exhibit antidiabetic effects as SGLT2 inhibitors. The compounds were obtained for structure determination from the organic synthesis research group of the Department of Organic Chemistry at the University of Debrecen. The current thesis can serve as a practical guide in the field of SCXRD.
dc.description.courseChemistry
dc.description.degreeMSc/MA
dc.format.extent43
dc.identifier.urihttps://hdl.handle.net/2437/391709
dc.language.isoen
dc.rights.infoHozzáférhető a 2022 decemberi felsőoktatási törvénymódosítás értelmében.
dc.subjectX-ray diffraction
dc.subjectStructure Determination
dc.subjectDiffractometer
dc.subjectSCXRD
dc.subject.dspaceChemistry::Physical Chemistry
dc.titleIdentification and Elimination of Pitfalls in Single-Crystal X-ray Diffraction Structure Determination: A Case Study
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