4F6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C23 | trip | 1.14Å | 1.16Å | |
| C23 | C20 | sing | 1.43Å | 1.28Å | |
| C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.37Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.37Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| F | C1 | sing | 1.35Å | 1.35Å | |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.47Å | 1.50Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | N3 | sing | 1.37Å | 1.34Å | Aromatic |
| C15 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | C12 | sing | 1.37Å | 1.33Å | Aromatic |
| N2 | C11 | doub | 1.31Å | 1.35Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | N1 | sing | 1.47Å | 1.48Å | |
| N4 | C12 | doub | 1.33Å | 1.36Å | Aromatic |
| C8 | O | sing | 1.43Å | 1.41Å | |
| C12 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | N1 | sing | 1.39Å | 1.42Å | |
| C11 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | doub | 1.36Å | 1.39Å | Aromatic |
| O | C9 | sing | 1.43Å | 1.41Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C23 | C20 | 178.3° | 180.0° |
| C23 | C20 | C19 | 120.2° | 120.0° |
| C23 | C20 | C21 | 119.9° | 120.0° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C20 | C19 | C18 | 119.8° | 120.0° |
| C20 | C19 | H16 | 120.1° | 120.0° |
| C20 | C21 | C22 | 120.4° | 120.0° |
| C20 | C21 | H17 | 119.8° | 120.0° |
| C19 | C18 | C17 | 121.2° | 120.0° |
| C19 | C18 | H15 | 119.4° | 120.1° |
| C18 | C19 | H16 | 120.1° | 120.0° |
| C21 | C22 | C17 | 120.3° | 120.0° |
| C22 | C21 | H17 | 119.8° | 120.0° |
| C21 | C22 | H18 | 119.8° | 120.0° |
| C3 | C2 | C1 | 120.0° | 120.0° |
| C2 | C3 | C4 | 118.7° | 120.0° |
| C3 | C2 | H1 | 120.0° | 120.0° |
| C2 | C3 | H2 | 120.7° | 120.0° |
| C2 | C1 | F | 119.2° | 120.0° |
| C2 | C1 | C6 | 121.0° | 120.0° |
| C1 | C2 | H1 | 120.0° | 120.0° |
| C18 | C17 | C22 | 118.5° | 120.0° |
| C18 | C17 | C16 | 117.5° | 120.0° |
| C17 | C18 | H15 | 119.4° | 120.0° |
| C3 | C4 | C5 | 122.3° | 120.0° |
| C4 | C3 | H2 | 120.6° | 120.0° |
| C3 | C4 | H3 | 118.9° | 120.0° |
| F | C1 | C6 | 119.8° | 120.0° |
| C1 | C6 | C5 | 120.1° | 120.0° |
| C1 | C6 | H4 | 119.9° | 120.0° |
| C22 | C17 | C16 | 124.0° | 120.0° |
| C17 | C22 | H18 | 119.9° | 120.0° |
| C17 | C16 | C15 | 129.1° | 126.7° |
| C17 | C16 | N3 | 122.9° | 126.7° |
| C4 | C5 | C6 | 117.9° | 120.1° |
| C4 | C5 | C7 | 119.9° | 119.9° |
| C5 | C4 | H3 | 118.8° | 120.0° |
| C6 | C5 | C7 | 122.2° | 120.0° |
| C5 | C6 | H4 | 120.0° | 120.0° |
| C5 | C7 | C8 | 109.5° | 109.7° |
| C5 | C7 | N1 | 112.6° | 109.8° |
| C5 | C7 | H5 | 107.8° | 109.7° |
| C15 | C16 | N3 | 108.0° | 106.6° |
| C16 | C15 | N4 | 106.4° | 108.2° |
| C16 | C15 | H14 | 126.8° | 125.9° |
| C16 | N3 | N2 | 129.5° | 132.7° |
| C16 | N3 | C12 | 108.9° | 107.1° |
| C15 | N4 | C12 | 108.7° | 109.5° |
| N4 | C15 | H14 | 126.8° | 125.9° |
| N2 | N3 | C12 | 121.6° | 120.2° |
| N3 | N2 | C11 | 121.6° | 120.6° |
| N3 | C12 | N4 | 108.1° | 108.5° |
| N3 | C12 | C13 | 118.6° | 119.2° |
| N2 | C11 | N1 | 117.8° | 119.6° |
| N2 | C11 | C14 | 117.7° | 120.6° |
| C8 | C7 | N1 | 111.3° | 108.6° |
| C7 | C8 | O | 112.1° | 109.3° |
| C7 | C8 | H7 | 108.8° | 109.6° |
| C7 | C8 | H6 | 108.8° | 109.5° |
| C8 | C7 | H5 | 107.5° | 109.7° |
| C7 | N1 | C11 | 119.9° | 121.0° |
| C7 | N1 | C10 | 118.7° | 118.0° |
| N1 | C7 | H5 | 108.1° | 109.4° |
| N4 | C12 | C13 | 133.4° | 132.3° |
| C8 | O | C9 | 108.9° | 114.1° |
| O | C8 | H7 | 108.8° | 109.5° |
| O | C8 | H6 | 108.8° | 109.5° |
| C12 | C13 | C14 | 120.2° | 119.3° |
| C12 | C13 | H12 | 119.9° | 120.4° |
| N1 | C11 | C14 | 124.4° | 119.7° |
| C11 | N1 | C10 | 121.2° | 121.0° |
| C11 | C14 | C13 | 120.4° | 120.1° |
| C11 | C14 | H13 | 119.8° | 119.9° |
| N1 | C10 | C9 | 111.9° | 108.3° |
| N1 | C10 | H10 | 108.9° | 109.7° |
| N1 | C10 | H11 | 108.8° | 109.7° |
| C10 | C9 | O | 108.8° | 109.2° |
| C9 | C10 | H10 | 108.9° | 109.7° |
| C9 | C10 | H11 | 108.9° | 109.7° |
| C10 | C9 | H8 | 109.6° | 109.5° |
| C10 | C9 | H9 | 109.7° | 109.6° |
| C14 | C13 | H12 | 119.9° | 120.4° |
| C13 | C14 | H13 | 119.8° | 120.0° |
| O | C9 | H8 | 109.6° | 109.5° |
| O | C9 | H9 | 109.6° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.8° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C23 | C20 | C19 | 2.3° | 164.1° |
| N5 | C23 | C20 | C21 | 175.8° | 15.9° |
| C23 | C20 | C19 | C21 | 178.2° | 180.0° |
| C23 | C20 | C19 | C18 | 179.2° | 179.9° |
| C23 | C20 | C21 | C22 | 178.6° | 179.8° |
| C23 | C20 | C19 | H16 | 0.9° | 0.0° |
| C23 | C20 | C21 | H17 | 1.4° | 0.0° |
| C20 | C19 | C18 | H16 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.4° | 0.2° |
| C20 | C19 | C18 | C17 | 1.3° | 0.0° |
| C20 | C19 | C18 | H15 | 178.7° | 180.0° |
| C19 | C20 | C21 | H17 | 179.6° | 180.0° |
| C21 | C20 | C19 | C18 | 1.0° | 0.1° |
| C20 | C21 | C22 | H17 | 180.0° | 179.8° |
| C20 | C21 | C22 | C17 | 0.2° | 0.5° |
| C21 | C20 | C19 | H16 | 179.0° | 180.0° |
| C20 | C21 | C22 | H18 | 179.8° | 180.0° |
| C19 | C18 | C17 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 1.0° | 0.3° |
| C19 | C18 | C17 | C16 | 179.9° | 180.0° |
| C21 | C22 | C17 | C18 | 0.5° | 0.5° |
| C21 | C22 | C17 | H18 | 180.0° | 179.5° |
| C21 | C22 | C17 | C16 | 179.3° | 179.8° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | F | 179.7° | 179.7° |
| C3 | C2 | C1 | C6 | 0.2° | 0.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | H3 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | F | C6 | 179.9° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C2 | C1 | C6 | H4 | 179.9° | 180.0° |
| C18 | C17 | C22 | C16 | 178.8° | 179.7° |
| C18 | C17 | C16 | C15 | 21.3° | 10.0° |
| C18 | C17 | C16 | N3 | 156.6° | 169.9° |
| C17 | C18 | C19 | H16 | 178.7° | 179.9° |
| C18 | C17 | C22 | H18 | 179.5° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C3 | C4 | C5 | C7 | 179.4° | 180.0° |
| C4 | C3 | C2 | H1 | 179.9° | 179.9° |
| F | C1 | C6 | C5 | 180.0° | 179.7° |
| F | C1 | C2 | H1 | 0.3° | 0.4° |
| F | C1 | C6 | H4 | 0.0° | 0.3° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | H4 | 180.0° | 179.9° |
| C1 | C6 | C5 | C7 | 179.3° | 180.0° |
| C6 | C1 | C2 | H1 | 179.8° | 179.9° |
| C22 | C17 | C16 | C15 | 157.5° | 170.2° |
| C22 | C17 | C16 | N3 | 24.6° | 9.8° |
| C22 | C17 | C18 | H15 | 179.0° | 179.7° |
| C17 | C22 | C21 | H17 | 179.8° | 179.7° |
| C17 | C16 | C15 | N3 | 178.1° | 180.0° |
| C17 | C16 | C15 | N4 | 178.7° | 180.0° |
| C17 | C16 | N3 | N2 | 2.1° | 0.1° |
| C17 | C16 | N3 | C12 | 179.2° | 180.0° |
| C17 | C16 | C15 | H14 | 1.3° | 0.1° |
| C16 | C17 | C18 | H15 | 0.1° | 0.0° |
| C16 | C17 | C22 | H18 | 0.7° | 0.2° |
| C4 | C5 | C6 | C7 | 178.7° | 180.0° |
| C4 | C5 | C7 | C8 | 49.3° | 65.7° |
| C4 | C5 | C7 | N1 | 173.7° | 53.5° |
| C5 | C4 | C3 | H2 | 179.7° | 180.0° |
| C4 | C5 | C7 | H5 | 67.3° | 173.8° |
| C4 | C5 | C6 | H4 | 179.5° | 179.9° |
| C6 | C5 | C7 | C8 | 132.0° | 114.3° |
| C6 | C5 | C7 | N1 | 7.7° | 126.4° |
| C6 | C5 | C7 | H5 | 111.4° | 6.1° |
| C6 | C5 | C4 | H3 | 179.4° | 180.0° |
| C5 | C7 | C8 | N1 | 125.1° | 120.0° |
| C5 | C7 | C8 | H5 | 116.8° | 120.5° |
| C5 | C7 | N1 | H5 | 118.9° | 120.4° |
| C5 | C7 | C8 | O | 130.8° | 172.0° |
| C5 | C7 | N1 | C11 | 88.2° | 9.7° |
| C5 | C7 | N1 | C10 | 85.9° | 170.2° |
| C5 | C7 | C8 | H7 | 10.4° | 68.0° |
| C5 | C7 | C8 | H6 | 108.8° | 52.2° |
| C7 | C5 | C6 | H4 | 0.8° | 0.0° |
| C7 | C5 | C4 | H3 | 0.6° | 0.0° |
| C16 | C15 | N4 | H14 | 180.0° | 179.9° |
| C15 | C16 | N3 | N2 | 179.6° | 180.0° |
| C15 | C16 | N3 | C12 | 1.0° | 0.0° |
| C16 | C15 | N4 | C12 | 0.0° | 0.1° |
| N3 | C16 | C15 | N4 | 0.6° | 0.1° |
| C16 | N3 | N2 | C12 | 178.5° | 179.9° |
| C16 | N3 | N2 | C11 | 178.3° | 180.0° |
| C16 | N3 | C12 | N4 | 0.9° | 0.0° |
| C16 | N3 | C12 | C13 | 178.9° | 179.7° |
| N3 | C16 | C15 | H14 | 179.4° | 180.0° |
| C15 | N4 | C12 | N3 | 0.6° | 0.1° |
| C15 | N4 | C12 | C13 | 179.3° | 179.6° |
| N2 | N3 | C12 | N4 | 179.7° | 179.9° |
| N2 | N3 | C12 | C13 | 0.2° | 0.3° |
| N3 | N2 | C11 | N1 | 177.7° | 179.9° |
| N3 | N2 | C11 | C14 | 1.0° | 0.3° |
| C12 | N3 | N2 | C11 | 0.1° | 0.1° |
| N3 | C12 | N4 | C13 | 179.9° | 179.7° |
| N3 | C12 | C13 | C14 | 0.4° | 0.3° |
| N3 | C12 | C13 | H12 | 179.6° | 180.0° |
| N2 | C11 | N1 | C7 | 20.6° | 143.7° |
| N2 | C11 | N1 | C14 | 176.4° | 179.7° |
| N2 | C11 | N1 | C10 | 153.4° | 36.1° |
| N2 | C11 | C14 | C13 | 1.6° | 0.3° |
| N2 | C11 | C14 | H13 | 178.3° | 179.7° |
| C8 | C7 | N1 | H5 | 117.7° | 119.7° |
| C7 | C8 | O | H7 | 120.4° | 120.1° |
| C7 | C8 | O | H6 | 120.4° | 119.9° |
| C8 | C7 | N1 | C11 | 148.4° | 129.5° |
| C8 | C7 | N1 | C10 | 37.5° | 50.3° |
| C7 | C8 | O | C9 | 60.9° | 62.4° |
| C7 | C8 | H7 | H6 | 118.8° | 120.1° |
| N1 | C7 | C8 | O | 5.7° | 52.1° |
| C7 | N1 | C11 | C10 | 174.0° | 179.8° |
| C7 | N1 | C11 | C14 | 163.0° | 36.0° |
| C7 | N1 | C10 | C9 | 26.0° | 50.3° |
| C7 | N1 | C10 | H10 | 146.4° | 69.4° |
| C7 | N1 | C10 | H11 | 94.4° | 170.0° |
| N1 | C7 | C8 | H7 | 114.7° | 172.1° |
| N1 | C7 | C8 | H6 | 126.1° | 67.8° |
| N4 | C12 | C13 | C14 | 179.7° | 180.0° |
| N4 | C12 | C13 | H12 | 0.3° | 0.3° |
| C12 | N4 | C15 | H14 | 180.0° | 180.0° |
| C8 | O | C9 | C10 | 73.2° | 62.6° |
| C8 | O | C9 | H8 | 166.9° | 177.5° |
| C8 | O | C9 | H9 | 46.7° | 57.4° |
| O | C8 | H7 | H6 | 118.8° | 120.0° |
| O | C8 | C7 | H5 | 112.4° | 67.4° |
| C12 | C13 | C14 | C11 | 1.4° | 0.0° |
| C12 | C13 | C14 | H12 | 180.0° | 179.8° |
| C12 | C13 | C14 | H13 | 178.6° | 180.0° |
| C11 | N1 | C10 | C9 | 160.0° | 129.5° |
| N1 | C11 | C14 | C13 | 178.1° | 180.0° |
| N1 | C11 | C14 | H13 | 1.9° | 0.0° |
| C11 | N1 | C10 | H10 | 39.6° | 110.8° |
| C11 | N1 | C10 | H11 | 79.7° | 9.8° |
| C11 | N1 | C7 | H5 | 30.7° | 110.8° |
| C14 | C11 | N1 | C10 | 23.0° | 144.2° |
| C11 | C14 | C13 | H13 | 180.0° | 180.0° |
| C11 | C14 | C13 | H12 | 178.6° | 179.7° |
| N1 | C10 | C9 | H10 | 120.4° | 119.7° |
| N1 | C10 | C9 | H11 | 120.4° | 119.7° |
| N1 | C10 | C9 | O | 28.0° | 52.3° |
| N1 | C10 | H10 | H11 | 118.9° | 120.6° |
| N1 | C10 | C9 | H8 | 147.9° | 172.2° |
| N1 | C10 | C9 | H9 | 91.9° | 67.7° |
| C10 | N1 | C7 | H5 | 155.2° | 69.4° |
| C10 | C9 | O | H8 | 119.9° | 119.9° |
| C10 | C9 | O | H9 | 119.9° | 120.0° |
| C9 | C10 | H10 | H11 | 118.9° | 120.6° |
| C10 | C9 | H8 | H9 | 120.4° | 120.1° |
| O | C9 | C10 | H10 | 92.4° | 67.4° |
| O | C9 | C10 | H11 | 148.3° | 172.0° |
| O | C9 | H8 | H9 | 120.3° | 120.1° |
| C9 | O | C8 | H7 | 59.4° | 177.5° |
| C9 | O | C8 | H6 | 178.7° | 57.4° |
| H1 | C2 | C3 | H2 | 0.1° | 0.1° |
| H2 | C3 | C4 | H3 | 0.3° | 0.0° |
| H12 | C13 | C14 | H13 | 1.4° | 0.2° |
| H15 | C18 | C19 | H16 | 1.3° | 0.1° |
| H17 | C21 | C22 | H18 | 0.2° | 0.2° |
| H10 | C10 | C9 | H8 | 27.5° | 52.5° |
| H10 | C10 | C9 | H9 | 147.7° | 172.6° |
| H11 | C10 | C9 | H8 | 91.8° | 68.1° |
| H11 | C10 | C9 | H9 | 28.5° | 52.0° |
| H7 | C8 | C7 | H5 | 127.2° | 52.5° |
| H6 | C8 | C7 | H5 | 8.0° | 172.7° |
