Method of analyzing diffraction data obtained from a single crystal of a porous compound and a compound for which a structure is to be determined

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United States of America

PATENT NO 10976267
APP PUB NO 20170219500A1
SERIAL NO

15500629

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Abstract

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The present invention is a method for analyzing diffraction data obtained using a crystal structure analysis sample, the sample comprising a single crystal of a porous compound, and a compound for which a structure is to be determined. The method comprising: a step (I) that selects a space group that is identical to a space group of the single crystal of the porous compound, or a space group that has a symmetry lower than that, to be a space group of the crystal structure analysis sample; a step (II) that determines an initial structure of the crystal structure analysis sample using diffraction data with respect to a crystal structure of the single crystal of the porous compound as initial values; and a step (III) that refines the initial structure determined.

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Patent OwnerAddress
JAPAN SCIENCE AND TECHNOLOGY AGENCYSAITAMA PREFECTURE JAPAN SAITAMA

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Inventor(s)

Inventor Name Address # of filed Patents Total Citations
Fujita, Makoto Tokyo, JP 79 698
Inokuma, Yasuhide Tokyo, JP 6 74
Yamaguchi, Kentaro Sanuki, JP 79 573

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