Please use this identifier to cite or link to this item: http://dx.doi.org/10.18419/opus-14863
Authors: Krupp, Felix
Frey, Wolfgang
Richert, Clemens
Title: Absolute configuration of small molecules by co‐crystallization
Issue Date: 2020
metadata.ubs.publikation.typ: Zeitschriftenartikel
metadata.ubs.publikation.seiten: 15875-15879
metadata.ubs.publikation.source: Angewandte Chemie international edition 59 (2020), S. 15875-15879
URI: http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-148820
http://elib.uni-stuttgart.de/handle/11682/14882
http://dx.doi.org/10.18419/opus-14863
ISSN: 0570-0833
Abstract: The most reliable method to determine the absolute configuration of chiral molecules is X‐ray crystallography, but small molecules can be difficult to crystallize. We report rapid co‐crystallization of tetraaryladamantanes with small molecules as different as n‐decane to nicotine to produce crystals for X‐ray analysis and the assignment of absolute configuration when the molecules are chiral. A screen of 52 diverse compounds gave inclusion in co‐crystals for 88 % of all cases and a high‐resolution structure in 77 % of cases. Furthermore, starting from three milligrams of analyte, a combination of NMR spectroscopy and X‐ray crystallography produced a full structure in less than three days using an adamantane crystallization chaperone that encapsulates the analyte at room temperature.
Appears in Collections:03 Fakultät Chemie

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