Bond parameters | NA | |
Neutral | Diradical | |
C1-C2 | 1.399 | 1.386 |
C2-C3 | 1.411 | 1.403 |
C3-C4 | 1.368 | 1.370 |
C4-C5 | 1.417 | 1.420 |
C5-C6 | 1.433 | 1.432 |
C6-C1 | 1.444 | 1.431 |
C2-O1 | 1.365 | 1.356 |
O1-H7 | 0.962 | - |
C6-C14 | 1.420 | 1.410 |
C14-C15 | 1.377 | 1.376 |
C15-C16 | 1.410 | 1.411 |
C16-C17 | 1.373 | 1.374 |
C17-C5 | 1.418 | 1.417 |
C1-C7 | 1.461 | 1.456 |
C7-H8 | 1.092 | 1.088 |
C7-N1 | 1.285 | 1.280 |
N1-C8 | 1.403 | 1.446 |
O1-C8 | - | 1.455 |
C8-C9 | 1.414 | 1.570 |
C9-C10 | 1.393 | 1.466 |
C10-C11 | 1.391 | 1.347 |
C11-C12 | 1.397 | 1.460 |