Absolute refinement of crystal structures by X-ray phase measurements.
A pair of enantiomer crystals is used to demonstrate how X-ray phase measurements provide reliable information for absolute identification and improvement of atomic model structures. Reliable phase measurements are possible thanks to the existence of intervals of phase values that are clearly distinguishable beyond instrumental effects. Because of the high susceptibility of phase values to structural details, accurate model structures were necessary for succeeding with this demonstration. It shows a route for exploiting physical phase measurements in the crystallography of more complex crystals.
Instituto de Física, Universidade de São Paulo, São Paulo, SP, Brazil.
Sérgio L
SL
Morelhão
Instituto de Física, Universidade de São Paulo, São Paulo, SP, Brazil.
Zohrab G
ZG
Amirkhanyan
Faculdade de Física, Universidade Federal Pará, Belém, PA, Brazil.
Cláudio M R
CM
Remédios
X-ray diffraction; chirality; invariant phase triplets; single crystals