Selected bond length | Calculated Value (Å) | Experimental Value (Å) | Error | Atom 1 | Atom 2 |
R(C12-C17) | 1.38 | 1.43 | 0.02 | 12 | 15 |
R(C1-C16) | 1.42 | 1.93 | 0.51 | 1 | 16 |
R(C1-C2) | 1.38 | 1.45 | 0.07 | 1 | 2 |
R(C2-C3) | 1.40 | 1.37 | 0.03 | 2 | 3 |
R(C3-C4) | 1.43 | 1.43 | 0 | 3 | 4 |
R(C3-C8 | 1.42 | 1.40 | 0.02 | 3 | 8 |
R(C4-C8) | 1.42 | 1.38 | 0.04 | 4 | 8 |
R(C8-C12) | 1.38 | 1.42 | 0.04 | 8 | 12 |
R(N15-C11) | 1.32 | 1.39 | 0.07 | 15 | 11 |
R(C4-N15) | 1.36 | 1.41 | 0.05 | 4 | 15 |