Innovative methodologies, introduced in the software EXPO and working both in the reciprocal and in the direct space, can be successfully adopted for solving crystal structure by X-ray powder diffraction data. The principles underlying these methodologies are summarized. Three representative examples of crystal structure solution of the peptides Z-(Aib)(2)-OH, Z-(Aib)(3)-O-t-Bu and Z-(Aib)(4)-OH are discussed in relation to their different degree of structure complexity.
EXPO software for solving crystal structures by powder diffraction data: methods and application
Altomare A;Corriero N;Cuocci C;Falcicchio A;Moliterni A;Rizzi R
2015
Abstract
Innovative methodologies, introduced in the software EXPO and working both in the reciprocal and in the direct space, can be successfully adopted for solving crystal structure by X-ray powder diffraction data. The principles underlying these methodologies are summarized. Three representative examples of crystal structure solution of the peptides Z-(Aib)(2)-OH, Z-(Aib)(3)-O-t-Bu and Z-(Aib)(4)-OH are discussed in relation to their different degree of structure complexity.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.