Conformer | Bond angle/˚ | Bond length/Å | Dihedral angle/˚ | C9↔C12 distance/Å | |||||
C9-C10-C11 | C10-C11-C12 | C9-C10 | C10-C11 | C11-C12 | C9-C10-C11-C12 | ||||
CLA | 1 | s-trans | 124.8 | 123.0 | 1.341 | 1.448 | 1.341 | −179.7 | 3.689 |
3 | s-cis | 124.7 | 122.8 | 1.341 | 1.448 | 1.340 | 179.7 | 3.687 | |
5 | s-trans | 124.8 | 124.7 | 1.341 | 1.447 | 1.341 | −179.0 | 3.703 | |
6 | s-trans | 123.1 | 123.0 | 1.340 | 1.448 | 1.341 | 179.9 | 3.677 | |
9 | s-cis | 125.1 | 125.4 | 1.340 | 1.447 | 1.341 | −15.0 | 3.010 | |
MAC | 15 | exo-cis | 120.7 | 121.7 | 1.490 | 1.336 | 1.491 | 1.5 | 2.880 |
16 | endo-cis | 119.6 | 119.5 | 1.491 | 1.338 | 1.491 | 0.0 | 2.809 |