K4O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.33Å | 1.36Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.33Å | Aromatic |
| N | C2 | sing | 1.34Å | 1.35Å | Aromatic |
| N | C1 | doub | 1.32Å | 1.33Å | Aromatic |
| C3 | N2 | doub | 1.31Å | 1.31Å | Aromatic |
| C2 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C12 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | N4 | sing | 1.38Å | 1.35Å | |
| N4 | C5 | sing | 1.47Å | 1.45Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C11 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | F | sing | 1.35Å | 1.35Å | |
| C7 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C2 | 102.4° | 109.7° |
| N1 | C3 | N2 | 117.2° | 109.6° |
| N1 | C3 | H1 | 121.4° | 125.2° |
| N1 | C2 | N | 127.9° | 132.5° |
| N1 | C2 | N3 | 109.3° | 107.2° |
| C2 | N | C1 | 116.1° | 121.3° |
| N | C2 | N3 | 122.7° | 120.4° |
| N | C1 | C | 116.8° | 119.8° |
| N | C1 | C12 | 123.0° | 120.4° |
| C3 | N2 | N3 | 101.2° | 107.1° |
| N2 | C3 | H1 | 121.4° | 125.2° |
| C2 | N3 | N2 | 109.9° | 106.4° |
| C2 | N3 | C4 | 122.6° | 120.2° |
| C | C1 | C12 | 120.2° | 119.8° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.4° | 109.5° |
| C1 | C12 | C4 | 121.1° | 119.0° |
| C1 | C12 | H8 | 119.4° | 120.5° |
| N2 | N3 | C4 | 127.4° | 133.4° |
| N3 | C4 | C12 | 114.4° | 118.7° |
| N3 | C4 | N4 | 118.2° | 120.7° |
| C12 | C4 | N4 | 127.3° | 120.7° |
| C4 | C12 | H8 | 119.4° | 120.5° |
| C4 | N4 | C5 | 118.4° | 120.0° |
| C4 | N4 | H12 | 107.2° | 120.0° |
| N4 | C5 | C6 | 113.0° | 109.5° |
| N4 | C5 | H2 | 108.6° | 109.5° |
| N4 | C5 | H3 | 108.6° | 109.4° |
| C5 | N4 | H12 | 107.2° | 120.0° |
| C5 | C6 | C11 | 121.8° | 120.0° |
| C5 | C6 | C7 | 121.3° | 120.0° |
| C6 | C5 | H2 | 108.6° | 109.5° |
| C6 | C5 | H3 | 108.6° | 109.5° |
| C6 | C11 | C10 | 120.9° | 120.1° |
| C11 | C6 | C7 | 116.9° | 120.0° |
| C6 | C11 | H7 | 119.6° | 119.9° |
| C11 | C10 | C9 | 120.3° | 120.0° |
| C11 | C10 | H6 | 119.9° | 120.0° |
| C10 | C11 | H7 | 119.6° | 120.0° |
| C6 | C7 | F | 118.0° | 120.1° |
| C6 | C7 | C8 | 123.4° | 120.0° |
| C10 | C9 | C8 | 120.1° | 120.1° |
| C10 | C9 | H5 | 119.9° | 119.9° |
| C9 | C10 | H6 | 119.9° | 120.0° |
| F | C7 | C8 | 118.6° | 120.0° |
| C7 | C8 | C9 | 118.4° | 120.0° |
| C7 | C8 | H4 | 120.8° | 120.1° |
| C9 | C8 | H4 | 120.8° | 120.0° |
| C8 | C9 | H5 | 119.9° | 120.0° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | C2 | N | 176.0° | 180.0° |
| N1 | C3 | N2 | H1 | 180.0° | 179.9° |
| C3 | N1 | C2 | N3 | 0.7° | 0.1° |
| N1 | C3 | N2 | N3 | 0.2° | 0.0° |
| N1 | C2 | N | N3 | 176.2° | 179.9° |
| N1 | C2 | N | C1 | 175.6° | 179.9° |
| C2 | N1 | C3 | N2 | 0.6° | 0.1° |
| N1 | C2 | N3 | N2 | 0.6° | 0.0° |
| N1 | C2 | N3 | C4 | 177.8° | 179.9° |
| C2 | N1 | C3 | H1 | 179.5° | 179.9° |
| C2 | N | C1 | C | 175.5° | 179.7° |
| C2 | N | C1 | C12 | 1.8° | 0.1° |
| N | C2 | N3 | N2 | 176.2° | 180.0° |
| N | C2 | N3 | C4 | 1.0° | 0.0° |
| C1 | N | C2 | N3 | 0.6° | 0.0° |
| N | C1 | C | C12 | 177.5° | 179.8° |
| N | C1 | C12 | C4 | 1.5° | 0.1° |
| N | C1 | C12 | H8 | 178.5° | 180.0° |
| N | C1 | C | H9 | 0.0° | 90.3° |
| N | C1 | C | H10 | 120.0° | 29.8° |
| N | C1 | C | H11 | 120.0° | 149.8° |
| C3 | N2 | N3 | C2 | 0.2° | 0.0° |
| C3 | N2 | N3 | C4 | 177.3° | 180.0° |
| C2 | N3 | N2 | C4 | 177.1° | 180.0° |
| C2 | N3 | C4 | C12 | 1.4° | 0.0° |
| C2 | N3 | C4 | N4 | 178.8° | 180.0° |
| C | C1 | C12 | C4 | 175.8° | 179.7° |
| C | C1 | C12 | H8 | 4.2° | 0.2° |
| C1 | C | H9 | H10 | 120.0° | 120.1° |
| C1 | C | H9 | H11 | 120.0° | 119.9° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C12 | C4 | N3 | 0.2° | 0.1° |
| C1 | C12 | C4 | H8 | 180.0° | 179.9° |
| C1 | C12 | C4 | N4 | 177.3° | 180.0° |
| C12 | C1 | C | H9 | 177.4° | 89.9° |
| C12 | C1 | C | H10 | 62.5° | 150.0° |
| C12 | C1 | C | H11 | 57.5° | 30.0° |
| N2 | N3 | C4 | C12 | 175.4° | 180.0° |
| N2 | N3 | C4 | N4 | 2.0° | 0.0° |
| N3 | N2 | C3 | H1 | 179.8° | 179.9° |
| N3 | C4 | C12 | N4 | 177.1° | 180.0° |
| N3 | C4 | N4 | C5 | 174.9° | 180.0° |
| N3 | C4 | C12 | H8 | 179.8° | 180.0° |
| N3 | C4 | N4 | H12 | 63.9° | 0.0° |
| C12 | C4 | N4 | C5 | 2.2° | 0.1° |
| C12 | C4 | N4 | H12 | 119.1° | 180.0° |
| C4 | N4 | C5 | H12 | 121.3° | 180.0° |
| C4 | N4 | C5 | C6 | 107.2° | 180.0° |
| C4 | N4 | C5 | H2 | 132.3° | 60.0° |
| C4 | N4 | C5 | H3 | 13.3° | 60.0° |
| N4 | C4 | C12 | H8 | 2.7° | 0.0° |
| N4 | C5 | C6 | H2 | 120.5° | 120.0° |
| N4 | C5 | C6 | H3 | 120.6° | 120.0° |
| N4 | C5 | C6 | C11 | 27.0° | 100.3° |
| N4 | C5 | C6 | C7 | 153.5° | 80.0° |
| N4 | C5 | H2 | H3 | 118.4° | 120.0° |
| C5 | C6 | C11 | C7 | 179.5° | 179.8° |
| C5 | C6 | C11 | C10 | 179.4° | 179.7° |
| C5 | C6 | C7 | F | 1.7° | 0.0° |
| C5 | C6 | C7 | C8 | 179.1° | 180.0° |
| C6 | C5 | H2 | H3 | 118.4° | 120.0° |
| C5 | C6 | C11 | H7 | 0.5° | 0.1° |
| C6 | C5 | N4 | H12 | 14.1° | 0.0° |
| C6 | C11 | C10 | H7 | 180.0° | 179.8° |
| C6 | C11 | C10 | C9 | 0.2° | 0.6° |
| C11 | C6 | C7 | F | 178.8° | 179.8° |
| C11 | C6 | C7 | C8 | 0.4° | 0.3° |
| C11 | C6 | C5 | H2 | 93.5° | 19.8° |
| C11 | C6 | C5 | H3 | 147.6° | 139.8° |
| C6 | C11 | C10 | H6 | 179.8° | 179.7° |
| C10 | C11 | C6 | C7 | 0.1° | 0.5° |
| C11 | C10 | C9 | H6 | 180.0° | 179.8° |
| C11 | C10 | C9 | C8 | 0.2° | 0.3° |
| C11 | C10 | C9 | H5 | 179.8° | 179.7° |
| C6 | C7 | F | C8 | 179.2° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.1° |
| C7 | C6 | C5 | H2 | 86.0° | 160.0° |
| C7 | C6 | C5 | H3 | 32.9° | 40.0° |
| C6 | C7 | C8 | H4 | 179.6° | 180.0° |
| C7 | C6 | C11 | H7 | 179.9° | 179.7° |
| C10 | C9 | C8 | C7 | 0.1° | 0.1° |
| C10 | C9 | C8 | H5 | 180.0° | 179.9° |
| C10 | C9 | C8 | H4 | 179.9° | 180.0° |
| C9 | C10 | C11 | H7 | 179.8° | 179.6° |
| F | C7 | C8 | C9 | 178.8° | 180.0° |
| F | C7 | C8 | H4 | 1.3° | 0.1° |
| C7 | C8 | C9 | H4 | 180.0° | 179.9° |
| C7 | C8 | C9 | H5 | 179.9° | 180.0° |
| C8 | C9 | C10 | H6 | 179.8° | 179.9° |
| H2 | C5 | N4 | H12 | 106.4° | 120.0° |
| H3 | C5 | N4 | H12 | 134.6° | 120.0° |
| H4 | C8 | C9 | H5 | 0.1° | 0.1° |
| H5 | C9 | C10 | H6 | 0.2° | 0.0° |
| H6 | C10 | C11 | H7 | 0.2° | 0.1° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
