Table 2.
Energetic difference and Boltzmann population of different conformational types of complexed macrocycles.
| Macrolactone | 18 symmetric (n 1 = n 2 = 5) | 18 dissymmetric (n 1 = 4, n 2 = 6) | ||||
|---|---|---|---|---|---|---|
| Type | ΔE | % | Type | ΔE | % | |
| 1 | 0.00 | 28.5 | 8 | 0.00 | 50.1 | |
| to 1 kcal/mol | 8 | 0.30 | 26.5 | |||
| 7 | 0.54 | 25.1 | ||||
| 2 | 1.47 | 19.9 | 7 | 4.04 | 18.8 | |
| Sup to1 kcal/mol | 1 | 4.30 | 17.6 | |||
| 2 | 5.39 | 13.5 | ||||