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- W4230689021 abstract "We describe the a priori computational prediction and realization of multi-component cage pots, starting with molecular predictions based on candidate precursors through to crystal structure prediction and synthesis using robotic screening. The molecules were formed by the social self-sorting of a tri-topic aldehyde with both a tri-topic amine and di-topic amine, without using orthogonal reactivity or precursors of the same topicity. Crystal structure prediction suggested a rich polymorphic landscape, where there was an overall preference for chiral recognition to form heterochiral rather than homochiral packings, with heterochiral pairs being more likely to pack window-to-window to form two-component capsules. These crystal packing preferences were then observed in experimental crystal structures." @default.
- W4230689021 created "2022-05-11" @default.
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- W4230689021 date "2019-09-24" @default.
- W4230689021 modified "2023-10-15" @default.
- W4230689021 title "From Concept to Crystals via Prediction: Multi‐Component Organic Cage Pots by Social Self‐Sorting" @default.
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- W4230689021 doi "https://doi.org/10.1002/ange.201909237" @default.
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