6H1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F20 | C18 | sing | 1.40Å | 1.31Å | |
| C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| C18 | C5 | sing | 1.51Å | 1.45Å | |
| C18 | F21 | sing | 1.40Å | 1.32Å | |
| C18 | F19 | sing | 1.40Å | 1.32Å | |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C8 | sing | 1.51Å | 1.51Å | |
| O17 | C9 | sing | 1.36Å | 1.36Å | |
| C8 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.36Å | Aromatic |
| C12 | O14 | sing | 1.37Å | 1.37Å | |
| C11 | O15 | sing | 1.36Å | 1.37Å | |
| O14 | C16 | sing | 1.44Å | 1.46Å | |
| O15 | C16 | sing | 1.44Å | 1.42Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| O17 | H10 | sing | 0.97Å | 0.95Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F20 | C18 | C5 | 111.3° | 109.5° |
| F20 | C18 | F21 | 109.1° | 109.5° |
| F20 | C18 | F19 | 104.9° | 109.5° |
| C3 | C4 | C5 | 118.6° | 120.0° |
| C4 | C3 | C2 | 120.8° | 120.0° |
| C4 | C3 | H1 | 119.6° | 120.0° |
| C3 | C4 | H2 | 120.7° | 120.0° |
| C4 | C5 | C18 | 118.5° | 120.0° |
| C4 | C5 | C6 | 121.7° | 120.1° |
| C5 | C4 | H2 | 120.7° | 120.0° |
| C5 | C18 | F21 | 111.1° | 109.5° |
| C5 | C18 | F19 | 112.0° | 109.5° |
| C18 | C5 | C6 | 119.7° | 119.9° |
| F21 | C18 | F19 | 108.2° | 109.4° |
| C3 | C2 | C7 | 120.8° | 120.0° |
| C3 | C2 | C1 | 117.6° | 120.0° |
| C2 | C3 | H1 | 119.6° | 120.0° |
| C5 | C6 | C7 | 119.4° | 119.9° |
| C5 | C6 | H5 | 120.3° | 120.0° |
| C7 | C2 | C1 | 121.5° | 120.0° |
| C2 | C7 | C6 | 118.7° | 120.1° |
| C2 | C7 | H6 | 120.7° | 120.0° |
| C2 | C1 | C8 | 111.6° | 109.5° |
| C2 | C1 | H3 | 109.0° | 109.5° |
| C2 | C1 | H4 | 108.9° | 109.4° |
| C7 | C6 | H5 | 120.3° | 120.0° |
| C6 | C7 | H6 | 120.7° | 119.9° |
| C1 | C8 | C9 | 121.7° | 120.0° |
| C1 | C8 | C13 | 120.0° | 120.0° |
| C8 | C1 | H3 | 108.9° | 109.5° |
| C8 | C1 | H4 | 108.9° | 109.5° |
| O17 | C9 | C8 | 121.4° | 120.0° |
| O17 | C9 | C10 | 116.7° | 120.0° |
| C9 | O17 | H10 | 109.5° | 114.0° |
| C9 | C8 | C13 | 118.3° | 120.1° |
| C8 | C9 | C10 | 121.9° | 120.1° |
| C8 | C13 | C12 | 118.7° | 120.1° |
| C8 | C13 | H8 | 120.6° | 120.0° |
| C9 | C10 | C11 | 118.4° | 120.0° |
| C9 | C10 | H7 | 120.8° | 120.0° |
| C13 | C12 | C11 | 122.1° | 119.9° |
| C13 | C12 | O14 | 127.0° | 131.5° |
| C12 | C13 | H8 | 120.7° | 119.9° |
| C10 | C11 | C12 | 120.5° | 119.9° |
| C10 | C11 | O15 | 128.5° | 131.5° |
| C11 | C10 | H7 | 120.8° | 120.0° |
| C11 | C12 | O14 | 110.8° | 108.6° |
| C12 | C11 | O15 | 111.0° | 108.7° |
| C12 | O14 | C16 | 104.5° | 105.5° |
| C11 | O15 | C16 | 105.4° | 105.5° |
| O14 | C16 | O15 | 108.3° | 103.8° |
| O14 | C16 | H9 | 109.8° | 110.6° |
| O14 | C16 | H11 | 109.8° | 110.6° |
| O15 | C16 | H9 | 109.8° | 110.5° |
| O15 | C16 | H11 | 109.8° | 110.5° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H9 | C16 | H11 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F20 | C18 | C5 | C4 | 78.5° | 30.0° |
| F20 | C18 | C5 | F21 | 121.8° | 120.0° |
| F20 | C18 | C5 | F19 | 117.1° | 120.0° |
| F20 | C18 | F21 | F19 | 113.6° | 120.0° |
| F20 | C18 | C5 | C6 | 99.6° | 150.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C18 | 179.2° | 180.0° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C4 | C3 | C2 | C7 | 0.8° | 0.1° |
| C4 | C3 | C2 | C1 | 178.7° | 179.7° |
| C4 | C5 | C18 | C6 | 178.1° | 179.9° |
| C4 | C5 | C18 | F21 | 159.7° | 90.0° |
| C4 | C5 | C18 | F19 | 38.6° | 150.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.1° |
| C4 | C5 | C6 | C7 | 1.8° | 0.1° |
| C5 | C4 | C3 | H1 | 179.3° | 180.0° |
| C4 | C5 | C6 | H5 | 178.3° | 180.0° |
| C5 | C18 | F21 | F19 | 123.3° | 120.0° |
| C18 | C5 | C6 | C7 | 179.7° | 179.9° |
| C18 | C5 | C4 | H2 | 0.8° | 0.1° |
| C18 | C5 | C6 | H5 | 0.3° | 0.0° |
| F21 | C18 | C5 | C6 | 22.2° | 90.0° |
| F19 | C18 | C5 | C6 | 143.3° | 30.0° |
| C3 | C2 | C7 | C1 | 177.8° | 179.8° |
| C3 | C2 | C7 | C6 | 1.3° | 0.0° |
| C3 | C2 | C1 | C8 | 120.3° | 90.2° |
| C2 | C3 | C4 | H2 | 179.3° | 179.9° |
| C3 | C2 | C1 | H3 | 0.0° | 29.8° |
| C3 | C2 | C1 | H4 | 119.4° | 149.7° |
| C3 | C2 | C7 | H6 | 178.6° | 179.8° |
| C5 | C6 | C7 | C2 | 1.8° | 0.1° |
| C5 | C6 | C7 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | H2 | 178.8° | 180.0° |
| C5 | C6 | C7 | H6 | 178.2° | 179.7° |
| C2 | C7 | C6 | H6 | 180.0° | 179.8° |
| C7 | C2 | C1 | C8 | 57.6° | 90.0° |
| C7 | C2 | C3 | H1 | 179.2° | 180.0° |
| C7 | C2 | C1 | H3 | 177.9° | 150.0° |
| C7 | C2 | C1 | H4 | 62.8° | 30.1° |
| C2 | C7 | C6 | H5 | 178.2° | 180.0° |
| C1 | C2 | C7 | C6 | 179.2° | 179.8° |
| C2 | C1 | C8 | H3 | 120.3° | 120.0° |
| C2 | C1 | C8 | H4 | 120.3° | 120.0° |
| C2 | C1 | C8 | C9 | 87.2° | 80.0° |
| C2 | C1 | C8 | C13 | 90.7° | 99.7° |
| C1 | C2 | C3 | H1 | 1.3° | 0.2° |
| C2 | C1 | H3 | H4 | 119.0° | 119.9° |
| C1 | C2 | C7 | H6 | 0.8° | 0.0° |
| C1 | C8 | C9 | O17 | 0.7° | 0.1° |
| C1 | C8 | C9 | C13 | 177.9° | 179.6° |
| C1 | C8 | C9 | C10 | 179.9° | 180.0° |
| C1 | C8 | C13 | C12 | 179.7° | 179.8° |
| C8 | C1 | H3 | H4 | 119.0° | 120.0° |
| C1 | C8 | C13 | H8 | 0.3° | 0.1° |
| O17 | C9 | C8 | C10 | 179.2° | 179.9° |
| O17 | C9 | C8 | C13 | 178.7° | 179.7° |
| O17 | C9 | C10 | C11 | 179.6° | 180.0° |
| O17 | C9 | C10 | H7 | 0.4° | 0.0° |
| C9 | C8 | C13 | C12 | 1.7° | 0.6° |
| C8 | C9 | C10 | C11 | 1.2° | 0.0° |
| C9 | C8 | C1 | H3 | 152.5° | 160.0° |
| C9 | C8 | C1 | H4 | 33.1° | 40.0° |
| C8 | C9 | C10 | H7 | 178.8° | 179.9° |
| C9 | C8 | C13 | H8 | 178.3° | 179.7° |
| C8 | C9 | O17 | H10 | 180.0° | 90.0° |
| C13 | C8 | C9 | C10 | 2.1° | 0.3° |
| C8 | C13 | C12 | H8 | 180.0° | 179.7° |
| C8 | C13 | C12 | C11 | 0.5° | 0.5° |
| C8 | C13 | C12 | O14 | 178.6° | 179.7° |
| C13 | C8 | C1 | H3 | 29.6° | 20.4° |
| C13 | C8 | C1 | H4 | 149.0° | 140.3° |
| C9 | C10 | C11 | H7 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | C11 | O15 | 179.6° | 180.0° |
| C10 | C9 | O17 | H10 | 0.8° | 90.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.2° |
| C13 | C12 | C11 | O14 | 179.2° | 179.8° |
| C13 | C12 | C11 | O15 | 180.0° | 179.8° |
| C13 | C12 | O14 | C16 | 179.3° | 163.0° |
| C10 | C11 | C12 | O15 | 179.5° | 180.0° |
| C10 | C11 | C12 | O14 | 179.7° | 180.0° |
| C10 | C11 | O15 | C16 | 179.4° | 162.8° |
| C11 | C12 | O14 | C16 | 0.1° | 17.2° |
| C12 | C11 | O15 | C16 | 1.1° | 17.3° |
| C12 | C11 | C10 | H7 | 179.9° | 180.0° |
| C11 | C12 | C13 | H8 | 179.5° | 179.8° |
| O14 | C12 | C11 | O15 | 0.8° | 0.0° |
| C12 | O14 | C16 | O15 | 0.6° | 27.1° |
| O14 | C12 | C13 | H8 | 1.4° | 0.0° |
| C12 | O14 | C16 | H9 | 120.4° | 145.7° |
| C12 | O14 | C16 | H11 | 119.2° | 91.4° |
| C11 | O15 | C16 | O14 | 1.1° | 27.1° |
| O15 | C11 | C10 | H7 | 0.4° | 0.1° |
| C11 | O15 | C16 | H9 | 120.9° | 145.7° |
| C11 | O15 | C16 | H11 | 118.8° | 91.5° |
| O14 | C16 | O15 | H9 | 119.8° | 118.6° |
| O14 | C16 | O15 | H11 | 119.8° | 118.6° |
| O14 | C16 | H9 | H11 | 120.5° | 122.9° |
| O15 | C16 | H9 | H11 | 120.5° | 122.7° |
| H1 | C3 | C4 | H2 | 0.7° | 0.1° |
| H5 | C6 | C7 | H6 | 1.8° | 0.2° |
