14.有機化合物の結晶構造解析

概要

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Nowadays high angular resolution powder diffraction data are available from specially designed diffractometers and cameras employing synchrotron radiation and/or conventional X-ray sources, Several unknown structures have been determined from the powder diffraction data. The structure analysis is performed in the following sequence of steps; 1) data collection, 2) indexing and lattice parameter determination, 3) preparation of a |<I>F (hkl) </I>| set, 4) determination of approximate atomic coordinates, 5) structure refinement. Each of the above steps is described especially for the organic compounds.
日本結晶学会の論文