Table 5.
Conformational distribution of different diastereomers of 1
| Stereochemistry | Number of lowest energy conformers (Boltzmann Populations, %) |
|---|---|
| C8SC6S | 12 (48.7, 15.3, 8.6, 5.9, 5.7, 3.8, 3.6, 2.1, 1.7, 1.7, 1.6, 1.4) |
| C8SC6R | 9 (57.5, 30.5, 2.8, 1.9, 1.7, 1.5, 1.5, 1.4, 1.2) |
| C8RC6S | 8 (43.3, 32.7, 7.1, 5.2, 4.2, 3.3, 2.7, 1.6) |
| C8RC6R | 12 (53.9, 9.2, 7.6, 6.9, 5.6, 4.0, 3.4, 2.9, 1.8, 1.7, 1.5, 1.4) |