期刊
CRYSTAL RESEARCH AND TECHNOLOGY
卷 50, 期 9-10, 页码 737-742出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/crat.201500024
关键词
structure solution; powder diffraction; crystallographic software
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.
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