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DIFFRACTION DATA ANALYSIS METHOD, COMPUTER PROGRAM, AND RECORDING MEDIUM

外国特許コード F160008723
整理番号 (AF11P028)
掲載日 2016年4月14日
出願国 世界知的所有権機関(WIPO)
国際出願番号 2015JP071682
国際公開番号 WO 2016017770
国際出願日 平成27年7月30日(2015.7.30)
国際公開日 平成28年2月4日(2016.2.4)
優先権データ
  • 特願2014-156626 (2014.7.31) JP
発明の名称 (英語) DIFFRACTION DATA ANALYSIS METHOD, COMPUTER PROGRAM, AND RECORDING MEDIUM
発明の概要(英語) The present invention is a diffraction data analysis method for crystallography samples formed by arranging molecules of compounds, the structure of which is to be determined, in a regular manner into pores, or the like, of a single crystal of a porous compound, the three-dimensional skeleton of which is elucidated by a crystallographic method. The diffraction data analysis method includes step (I) in which a space group which is the same as that of the single crystal of the porous compound or a space group having lower symmetry is selected as the space group of a crystallography sample, step (II) in which the initial structure of the crystallography sample is determined by using diffraction data pertaining to the crystalline structure of the single crystal of the porous compound as an initial value, and step (III) in which the initial structure that has been obtained is refined. The present invention is also: a computer program which causes a computer to execute the method; and a recording medium on which the program is recorded. With respect to single crystal structure analysis methods, the present invention provides: a method for analysing diffraction data efficiently; a computer program which causes a computer to execute the method; and a recording medium.
  • 出願人(英語)
  • ※2012年7月以前掲載分については米国以外のすべての指定国
  • JAPAN SCIENCE AND TECHNOLOGY AGENCY
  • 発明者(英語)
  • FUJITA MAKOTO
  • INOKUMA YASUHIDE
  • YAMAGUCHI KENTARO
国際特許分類(IPC)
指定国 National States: AE AG AL AM AO AT AU AZ BA BB BG BH BN BR BW BY BZ CA CH CL CN CO CR CU CZ DE DK DM DO DZ EC EE EG ES FI GB GD GE GH GM GT HN HR HU ID IL IN IR IS JP KE KG KN KP KR KZ LA LC LK LR LS LU LY MA MD ME MG MK MN MW MX MY MZ NA NG NI NO NZ OM PA PE PG PH PL PT QA RO RS RU RW SA SC SD SE SG SK SL SM ST SV SY TH TJ TM TN TR TT TZ UA UG US UZ VC VN ZA ZM ZW
ARIPO: BW GH GM KE LR LS MW MZ NA RW SD SL SZ TZ UG ZM ZW
EAPO: AM AZ BY KG KZ RU TJ TM
EPO: AL AT BE BG CH CY CZ DE DK EE ES FI FR GB GR HR HU IE IS IT LT LU LV MC MK MT NL NO PL PT RO RS SE SI SK SM TR
OAPI: BF BJ CF CG CI CM GA GN GQ GW KM ML MR NE SN ST TD TG
参考情報 (研究プロジェクト等) CREST Development of the Foundation for Nano-Interface Technology
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