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Confidence Level Data for the IR and VCD Spectra of 1 and its 11R-Diastereoisomer.
| Epimer | a anH | b SIR | c SE | d S−E | e ESI | f C |
|---|---|---|---|---|---|---|
| 1 | 0.968 | 89.9 | 70.6 | 13.6 | 57.0 | 100 |
| 11epi-1 | 0.974 | - | 62.0 | 18.5 | 43.5 | 76 |
Anharmonicity factor.
IR spectral similarity.
VCD spectral similarity for the correct enantiomer.
VCD spectral similarity for the incorrect enantiomer.
Enantiomer similarity index, calculated as the SE - S−E difference.
Confidence level for the stereochemical assignment.
