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A permutation approach to the assignment of the configuration to diastereomeric tetrads by comparison of experimental and ab initio calculated differences in NMR data
Scoring permutations of experimental chemical shift deviations and DFT/GIAO calculated deviations of isotropic shieldings for sets of four diastereomers can help to assign their relative configurations. This method was exercised on a set of diastereomeric Cinchona alkaloid derivatives, where (13)C N...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Beilstein-Institut
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5704763/ https://www.ncbi.nlm.nih.gov/pubmed/29234475 http://dx.doi.org/10.3762/bjoc.13.245 |