Understanding the Structural Properties of a Dendrimeric Material Directly from Powder X-ray Diffraction Data

Complete structure determination of an early-generation dendrimeric material has been carried out directly from powder X-ray diffraction data, using the direct-space genetic algorithm technique for structure solution followed by Rietveld refinement. This work represents the first application of mode...

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Published inThe journal of physical chemistry. B Vol. 110; no. 24; pp. 11620 - 11623
Main Authors Pan, Zhigang, Xu, Mingcan, Cheung, Eugene Y, Harris, Kenneth D. M, Constable, Edwin C, Housecroft, Catherine E
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 22.06.2006
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Abstract Complete structure determination of an early-generation dendrimeric material has been carried out directly from powder X-ray diffraction data, using the direct-space genetic algorithm technique for structure solution followed by Rietveld refinement. This work represents the first application of modern direct-space techniques for structure determination from powder X-ray diffraction data in the case of a dendrimeric material and paves the way for the future application of this approach to enable complete structure determination of other dendrimeric materials that cannot be prepared as single crystal samples suitable for single crystal X-ray diffraction studies.
AbstractList Complete structure determination of an early-generation dendrimeric material has been carried out directly from powder X-ray diffraction data, using the direct-space genetic algorithm technique for structure solution followed by Rietveld refinement. This work represents the first application of modern direct-space techniques for structure determination from powder X-ray diffraction data in the case of a dendrimeric material and paves the way for the future application of this approach to enable complete structure determination of other dendrimeric materials that cannot be prepared as single crystal samples suitable for single crystal X-ray diffraction studies.
Author Cheung, Eugene Y
Xu, Mingcan
Harris, Kenneth D. M
Pan, Zhigang
Constable, Edwin C
Housecroft, Catherine E
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