Selected bond angle | Calculated Value | Experimental Value | Error | Connectivity | ||
Atom 1 | Atom 2 | Atom 3 | ||||
A(C1-C2-H7) | 120.6 | - |
| 1 | 2 | 7 |
A(C2-C3-C8) | 123.4 | 118.5 | 5.4 | 2 | 3 | 8 |
A(C8-C3-C4) | 117.5 | 121.4 | 3.9 | 8 | 3 | 4 |
A(C17-C4-N15) | 118.5 | - |
| 17 | 4 | 15 |
A(C3-C4-N15) | 120.4 | 118 | 2.4 | 3 | 4 | 15 |
A(N15-C11-C12) | 124.2 | 121.6 | 2.6 | 15 | 11 | 12 |
A(N15-C11-H13) | 116.3 | - |
| 15 | 11 | 13 |
A(H13-C11-C12) | 119.6 | - |
| 13 | 11 | 12 |