3D electron diffraction and NMR crystallography

Abstract

NMR crystallography approach using solid-state NMR and 3D electron diffraction (3D ED, microED) is demonstrated to solve structures of nano- to microcrystals. While 3D ED structure often involves uncertainty of hydrogen positions and ambiguity of carbon/nitrogen/oxygen assignments, solid-state NMR provides complementary information. Chemical-shift and dipolar-based NMR crystallography approaches are used to refine the 3D ED structures.