Articles with "structural database" as a keyword



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Development of a Cambridge Structural Database Subset: A Collection of Metal-Organic Frameworks for Past, Present, and Future

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Published in 2017 at "Chemistry of Materials"

DOI: 10.1021/acs.chemmater.7b00441

Abstract: We report the generation and characterization of the most complete collection of metal–organic frameworks (MOFs) maintained and updated, for the first time, by the Cambridge Crystallographic Data Centre (CCDC). To set up this subset, we… read more here.

Keywords: collection metal; structural database; metal organic; cambridge ... See more keywords

Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline-3,4-dihydroxybenzoic acid.

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Published in 2018 at "Acta crystallographica. Section C, Structural chemistry"

DOI: 10.1107/s2053229618006861

Abstract: An analysis and classification of the 2925 neutral binary organic cocrystals in the Cambridge Structural Database is reported, focusing specifically on those both showing polymorphism and containing an active pharmaceutical ingredient (API). The search was… read more here.

Keywords: structural database; new polymorph; polymorph pharmaceutical; cambridge structural ... See more keywords