| Abstract
| - Assigning absolute configuration of molecules continues to be a major problem. Determining absoluteconfiguration in conformationally flexible systems is challenging, even for experts. Here, we present a casestudy in which we use a combination of molecular modeling, solution NMR, and X-ray crystallography toillustrate why it is difficult to use solution methods alone for configuration assignment. For the case examined,a comparison of calculated and experimental optical rotatory dispersion (ORD) data provides the moststraightforward way to assign the absolute configuration.
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