The inability to determine molecular structures from powdered samples is a key barrier to progress in many areas of molecular and materials science. We report an approach to structure determination that combines molecular modeling with experimental spin diffusion data obtained from the high-resolution solid-state nuclear magnetic resonance of protons, and which allows the determination of the three-dimensional structure of an organic compound, in powder form and at natural isotopic abundance.
Jiri Vanicek, Alan Scheidegger, Nikolay Golubev
David Lyndon Emsley, Arthur César Pinon, Pinelopi Moutzouri, Manuel Cordova