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dc.contributor.authorScowen, I.J.
dc.contributor.authorAlomar, T.S.
dc.contributor.authorMunshi, T.
dc.contributor.authorSeaton, Colin C.
dc.date.accessioned2020-05-07T08:57:53Z
dc.date.available2020-05-07T08:57:53Z
dc.date.issued2020
dc.identifier.citationScowen IJ, Alomar TS, Munshi T et al (2020) Structural similarity in chiral-achiral multi-component crystals. CrystEngComm. 22(43): 7334-7340.en_US
dc.identifier.urihttp://hdl.handle.net/10454/17783
dc.descriptionYesen_US
dc.description.abstractThe creation of multi-component crystals between chiral and achiral components has gained increased interest in recent years. In many cases the overall crystal structure is similar with the creation of a pseudo-inversion centre in the enantiopure case. This allows for the formation of solid solutions between the two extremes, which may have applications within chiral resolution. Utilising a combination of database mining, computational prediction and experimental screening, the frequency of formation for such materials has been investigated showing that for co-crystals this occurs more frequently than for salts, though there is a limited number of samples to draw structural conclusions. Computational modelling indicates the prediction of such systems can be challenging due to the similarities in energy of many crystal structures, so development of tools to design such systems is required to fully utilise these concepts.en_US
dc.description.sponsorshipThe Deanship of Scientific Research at Princess Nourah bint Abdulrahman University through the Fast-track Research Funding Program.en_US
dc.language.isoenen_US
dc.relation.isreferencedbyhttps://doi.org/10.1039/D0CE00301Hen_US
dc.rights© The Royal Society of Chemistry 2020. Reproduced in accordance with the publisher's self-archiving policy.en_US
dc.subjectCo-crystalsen_US
dc.subjectChiral materialsen_US
dc.subjectComputational chemistryen_US
dc.subjectCrystal engineeringen_US
dc.titleStructural similarity in chiral-achiral multi-component crystalsen_US
dc.status.refereedYesen_US
dc.date.Accepted2020-04-15
dc.date.application2020-04-15
dc.typeArticleen_US
dc.type.versionAccepted manuscripten_US
refterms.dateFOA2020-05-07T08:58:49Z


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