P4O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C21 | doub | 1.41Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | N16 | sing | 1.35Å | 1.35Å | Aromatic |
| N16 | C17 | doub | 1.35Å | 1.33Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | C14 | sing | 1.44Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | N15 | doub | 1.35Å | 1.34Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| N15 | C10 | sing | 1.35Å | 1.31Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C2 | sing | 1.44Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.37Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.42Å | 1.33Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C6 | sing | 1.45Å | 1.39Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | O26 | doub | 1.23Å | 1.22Å | |
| C6 | N7 | sing | 1.39Å | 1.40Å | |
| N7 | C8 | sing | 1.47Å | 1.53Å | |
| N7 | H7 | sing | 1.02Å | 1.02Å | |
| C8 | H8C2 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H8C1 | sing | 1.10Å | 1.11Å | |
| C9 | H9C1 | sing | 1.09Å | 1.11Å | |
| C9 | H9C2 | sing | 1.10Å | 1.12Å | |
| C9 | C5 | sing | 1.48Å | 1.53Å | |
| C5 | N1 | sing | 1.37Å | 1.33Å | Aromatic |
| N1 | H1 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 119.8° | 120.2° |
| C20 | C19 | H19 | 120.1° | 119.9° |
| C19 | C20 | C25 | 120.1° | 121.6° |
| C19 | C20 | C21 | 119.0° | 118.1° |
| C18 | C19 | H19 | 120.1° | 119.9° |
| C19 | C18 | C17 | 118.2° | 117.5° |
| C19 | C18 | C14 | 120.6° | 121.3° |
| C25 | C20 | C21 | 120.9° | 120.3° |
| C20 | C25 | C24 | 120.1° | 120.4° |
| C20 | C25 | H25 | 120.6° | 120.7° |
| C20 | C21 | C22 | 119.0° | 118.1° |
| C20 | C21 | N16 | 120.3° | 121.8° |
| C24 | C25 | H25 | 119.3° | 118.9° |
| C25 | C24 | C23 | 118.7° | 119.6° |
| C25 | C24 | H24 | 120.3° | 120.2° |
| C23 | C24 | H24 | 121.1° | 120.2° |
| C24 | C23 | C22 | 121.4° | 120.0° |
| C24 | C23 | H23 | 119.4° | 120.1° |
| C22 | C23 | H23 | 119.2° | 119.9° |
| C23 | C22 | C21 | 119.9° | 121.6° |
| C23 | C22 | H22 | 120.1° | 118.6° |
| C21 | C22 | H22 | 120.0° | 119.8° |
| C22 | C21 | N16 | 120.6° | 120.1° |
| C21 | N16 | C17 | 120.9° | 118.2° |
| N16 | C17 | C18 | 121.7° | 124.2° |
| N16 | C17 | H17 | 116.4° | 114.3° |
| C18 | C17 | H17 | 121.9° | 121.6° |
| C17 | C18 | C14 | 121.2° | 121.2° |
| C18 | C14 | C13 | 121.3° | 121.0° |
| C18 | C14 | N15 | 118.8° | 115.0° |
| C13 | C14 | N15 | 119.9° | 124.0° |
| C14 | C13 | C12 | 119.2° | 117.9° |
| C14 | C13 | H13 | 120.8° | 121.0° |
| C14 | N15 | C10 | 121.8° | 116.4° |
| C12 | C13 | H13 | 120.0° | 121.1° |
| C13 | C12 | C11 | 118.7° | 119.8° |
| C13 | C12 | C2 | 121.3° | 120.1° |
| N15 | C10 | C11 | 120.9° | 124.1° |
| N15 | C10 | H10 | 116.8° | 115.2° |
| C11 | C10 | H10 | 122.3° | 120.7° |
| C10 | C11 | C12 | 119.5° | 117.8° |
| C10 | C11 | H11 | 120.3° | 120.2° |
| C12 | C11 | H11 | 120.2° | 121.9° |
| C11 | C12 | C2 | 119.9° | 120.0° |
| C12 | C2 | C3 | 125.9° | 129.9° |
| C12 | C2 | N1 | 125.4° | 121.9° |
| C3 | C2 | N1 | 108.8° | 108.3° |
| C2 | C3 | C4 | 108.6° | 107.2° |
| C2 | C3 | H3 | 125.9° | 125.5° |
| C2 | N1 | C5 | 108.4° | 108.9° |
| C2 | N1 | H1 | 112.6° | 125.3° |
| C4 | C3 | H3 | 125.6° | 127.4° |
| C3 | C4 | C6 | 134.2° | 131.6° |
| C3 | C4 | C5 | 107.0° | 107.0° |
| C6 | C4 | C5 | 118.7° | 121.3° |
| C4 | C6 | O26 | 119.7° | 122.4° |
| C4 | C6 | N7 | 119.9° | 114.1° |
| C4 | C5 | C9 | 124.9° | 125.1° |
| C4 | C5 | N1 | 107.2° | 108.7° |
| O26 | C6 | N7 | 120.4° | 123.5° |
| C6 | N7 | C8 | 121.9° | 124.1° |
| C6 | N7 | H7 | 114.4° | 117.5° |
| C8 | N7 | H7 | 123.6° | 117.5° |
| N7 | C8 | H8C2 | 111.4° | 108.1° |
| N7 | C8 | C9 | 111.7° | 113.2° |
| N7 | C8 | H8C1 | 111.4° | 106.3° |
| H8C2 | C8 | C9 | 111.4° | 110.9° |
| H8C2 | C8 | H8C1 | 99.0° | 108.0° |
| C9 | C8 | H8C1 | 111.4° | 110.1° |
| C8 | C9 | H9C1 | 112.3° | 110.4° |
| C8 | C9 | H9C2 | 112.3° | 109.7° |
| C8 | C9 | C5 | 109.1° | 107.8° |
| H9C1 | C9 | H9C2 | 98.1° | 108.0° |
| H9C1 | C9 | C5 | 112.4° | 112.0° |
| H9C2 | C9 | C5 | 112.3° | 108.8° |
| C9 | C5 | N1 | 127.8° | 126.2° |
| C5 | N1 | H1 | 112.6° | 125.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C20 | C25 | C21 | 180.0° | 180.0° |
| C19 | C20 | C25 | C24 | 179.2° | 180.0° |
| C19 | C20 | C25 | H25 | 0.8° | 0.0° |
| C19 | C20 | C21 | C22 | 179.2° | 180.0° |
| C19 | C20 | C21 | N16 | 0.0° | 0.0° |
| C20 | C19 | C18 | C17 | 0.6° | 0.0° |
| C20 | C19 | C18 | C14 | 178.2° | 180.0° |
| C18 | C19 | C20 | C25 | 179.5° | 180.0° |
| C18 | C19 | C20 | C21 | 0.6° | 0.0° |
| C19 | C18 | C17 | N16 | 0.1° | 0.0° |
| C19 | C18 | C17 | C14 | 178.9° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C19 | C18 | C14 | C13 | 25.9° | 150.0° |
| C19 | C18 | C14 | N15 | 151.6° | 30.0° |
| H19 | C19 | C20 | C25 | 0.5° | 0.0° |
| H19 | C19 | C20 | C21 | 179.4° | 180.0° |
| H19 | C19 | C18 | C17 | 179.4° | 180.0° |
| H19 | C19 | C18 | C14 | 1.8° | 0.0° |
| C20 | C25 | C24 | H25 | 180.0° | 180.0° |
| C20 | C25 | C24 | C23 | 0.2° | 0.0° |
| C20 | C25 | C24 | H24 | 179.8° | 180.0° |
| C25 | C20 | C21 | C22 | 0.8° | 0.0° |
| C25 | C20 | C21 | N16 | 180.0° | 180.0° |
| C21 | C20 | C25 | C24 | 0.8° | 0.0° |
| C21 | C20 | C25 | H25 | 179.2° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | N16 | 179.2° | 180.0° |
| C20 | C21 | C22 | H22 | 179.8° | 179.9° |
| C20 | C21 | N16 | C17 | 0.5° | 0.0° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.3° | 0.1° |
| C25 | C24 | C23 | H23 | 179.7° | 180.0° |
| H25 | C25 | C24 | C23 | 179.8° | 180.0° |
| H25 | C25 | C24 | H24 | 0.2° | 0.0° |
| C24 | C23 | C22 | H23 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.3° | 0.1° |
| C24 | C23 | C22 | H22 | 179.7° | 180.0° |
| H24 | C24 | C23 | C22 | 179.7° | 180.0° |
| H24 | C24 | C23 | H23 | 0.3° | 0.0° |
| C23 | C22 | C21 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | N16 | 179.5° | 180.0° |
| H23 | C23 | C22 | C21 | 179.7° | 180.0° |
| H23 | C23 | C22 | H22 | 0.3° | 0.1° |
| C22 | C21 | N16 | C17 | 179.6° | 180.0° |
| H22 | C22 | C21 | N16 | 0.6° | 0.1° |
| C21 | N16 | C17 | C18 | 0.4° | 0.0° |
| C21 | N16 | C17 | H17 | 179.6° | 180.0° |
| N16 | C17 | C18 | H17 | 180.0° | 180.0° |
| N16 | C17 | C18 | C14 | 178.7° | 180.0° |
| C17 | C18 | C14 | C13 | 155.3° | 30.0° |
| C17 | C18 | C14 | N15 | 27.2° | 150.0° |
| H17 | C17 | C18 | C14 | 1.3° | 0.0° |
| C18 | C14 | C13 | N15 | 177.4° | 180.0° |
| C18 | C14 | C13 | C12 | 179.9° | 180.0° |
| C18 | C14 | C13 | H13 | 0.1° | 0.0° |
| C18 | C14 | N15 | C10 | 179.5° | 180.0° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C13 | C14 | N15 | C10 | 2.0° | 0.1° |
| C14 | C13 | C12 | C11 | 2.2° | 0.0° |
| C14 | C13 | C12 | C2 | 178.6° | 180.0° |
| N15 | C14 | C13 | C12 | 2.7° | 0.0° |
| N15 | C14 | C13 | H13 | 177.3° | 179.9° |
| C14 | N15 | C10 | C11 | 0.9° | 0.0° |
| C14 | N15 | C10 | H10 | 179.2° | 180.0° |
| C13 | C12 | C11 | C10 | 1.1° | 0.0° |
| C13 | C12 | C11 | C2 | 179.2° | 180.0° |
| C13 | C12 | C11 | H11 | 178.9° | 180.0° |
| C13 | C12 | C2 | C3 | 170.6° | 150.0° |
| C13 | C12 | C2 | N1 | 10.2° | 30.3° |
| H13 | C13 | C12 | C11 | 177.8° | 180.0° |
| H13 | C13 | C12 | C2 | 1.4° | 0.0° |
| N15 | C10 | C11 | H10 | 180.0° | 180.0° |
| N15 | C10 | C11 | C12 | 0.4° | 0.0° |
| N15 | C10 | C11 | H11 | 179.6° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C2 | 179.7° | 180.0° |
| H10 | C10 | C11 | C12 | 179.6° | 180.0° |
| H10 | C10 | C11 | H11 | 0.4° | 0.0° |
| C11 | C12 | C2 | C3 | 10.2° | 30.0° |
| C11 | C12 | C2 | N1 | 168.9° | 149.7° |
| H11 | C11 | C12 | C2 | 0.3° | 0.0° |
| C12 | C2 | C3 | N1 | 179.3° | 179.7° |
| C12 | C2 | C3 | C4 | 178.8° | 179.9° |
| C12 | C2 | C3 | H3 | 1.2° | 0.0° |
| C12 | C2 | N1 | C5 | 178.2° | 179.8° |
| C12 | C2 | N1 | H1 | 52.9° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C6 | 179.3° | 179.3° |
| C2 | C3 | C4 | C5 | 0.3° | 0.7° |
| C3 | C2 | N1 | C5 | 1.1° | 0.0° |
| C3 | C2 | N1 | H1 | 126.4° | 179.4° |
| N1 | C2 | C3 | C4 | 0.5° | 0.4° |
| N1 | C2 | C3 | H3 | 179.5° | 179.7° |
| C2 | N1 | C5 | C4 | 1.3° | 0.4° |
| C2 | N1 | C5 | C9 | 178.7° | 178.7° |
| C2 | N1 | C5 | H1 | 125.3° | 179.4° |
| C3 | C4 | C6 | C5 | 178.9° | 178.5° |
| C3 | C4 | C6 | O26 | 16.8° | 8.1° |
| C3 | C4 | C6 | N7 | 164.7° | 172.9° |
| C3 | C4 | C5 | C9 | 178.5° | 178.5° |
| C3 | C4 | C5 | N1 | 1.0° | 0.7° |
| H3 | C3 | C4 | C6 | 0.7° | 0.8° |
| H3 | C3 | C4 | C5 | 179.7° | 179.4° |
| C4 | C6 | O26 | N7 | 178.4° | 178.9° |
| C4 | C6 | N7 | C8 | 1.5° | 11.8° |
| C4 | C6 | N7 | H7 | 178.5° | 179.3° |
| C6 | C4 | C5 | C9 | 2.3° | 0.3° |
| C6 | C4 | C5 | N1 | 179.8° | 179.5° |
| C5 | C4 | C6 | O26 | 162.1° | 170.3° |
| C5 | C4 | C6 | N7 | 16.3° | 8.6° |
| C4 | C5 | C9 | C8 | 26.9° | 25.9° |
| C4 | C5 | C9 | H9C1 | 98.3° | 147.5° |
| C4 | C5 | C9 | H9C2 | 152.2° | 93.1° |
| C4 | C5 | C9 | N1 | 177.0° | 179.0° |
| C4 | C5 | N1 | H1 | 126.6° | 179.8° |
| O26 | C6 | N7 | C8 | 179.9° | 169.3° |
| O26 | C6 | N7 | H7 | 0.1° | 0.3° |
| C6 | N7 | C8 | H7 | 180.0° | 168.9° |
| C6 | N7 | C8 | H8C2 | 156.6° | 162.0° |
| C6 | N7 | C8 | C9 | 31.4° | 38.8° |
| C6 | N7 | C8 | H8C1 | 93.9° | 82.2° |
| N7 | C8 | H8C2 | C9 | 125.4° | 124.6° |
| N7 | C8 | H8C2 | H8C1 | 117.3° | 114.6° |
| N7 | C8 | C9 | H8C1 | 125.3° | 118.8° |
| N7 | C8 | C9 | H9C1 | 85.3° | 164.2° |
| N7 | C8 | C9 | H9C2 | 165.3° | 76.8° |
| N7 | C8 | C9 | C5 | 40.0° | 41.6° |
| H7 | N7 | C8 | H8C2 | 23.4° | 29.0° |
| H7 | N7 | C8 | C9 | 148.6° | 152.3° |
| H7 | N7 | C8 | H8C1 | 86.1° | 86.7° |
| H8C2 | C8 | C9 | H8C1 | 109.5° | 119.5° |
| H8C2 | C8 | C9 | H9C1 | 40.0° | 74.1° |
| H8C2 | C8 | C9 | H9C2 | 69.5° | 44.8° |
| H8C2 | C8 | C9 | C5 | 165.3° | 163.3° |
| C8 | C9 | H9C1 | H9C2 | 118.3° | 119.9° |
| C8 | C9 | H9C1 | C5 | 123.5° | 120.2° |
| C8 | C9 | H9C2 | C5 | 123.5° | 117.8° |
| C8 | C9 | C5 | N1 | 150.1° | 155.2° |
| H8C1 | C8 | C9 | H9C1 | 149.5° | 45.5° |
| H8C1 | C8 | C9 | H9C2 | 40.0° | 164.4° |
| H8C1 | C8 | C9 | C5 | 85.3° | 77.2° |
| H9C1 | C9 | H9C2 | C5 | 118.3° | 121.9° |
| H9C1 | C9 | C5 | N1 | 84.7° | 33.5° |
| H9C2 | C9 | C5 | N1 | 24.8° | 85.9° |
| C9 | C5 | N1 | H1 | 56.0° | 0.7° |
