W4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.32Å | Aromatic |
| C1 | O2 | sing | 1.36Å | 1.27Å | |
| C2 | C3 | sing | 1.39Å | 1.34Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.31Å | |
| C3 | C4 | doub | 1.38Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.35Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.41Å | |
| C7 | C8 | sing | 1.53Å | 1.41Å | |
| C8 | C9 | sing | 1.51Å | 1.40Å | |
| C9 | C11 | doub | 1.38Å | 1.33Å | Aromatic |
| C9 | C15 | sing | 1.38Å | 1.33Å | Aromatic |
| O1 | C10 | sing | 1.43Å | 1.32Å | |
| C11 | C12 | sing | 1.39Å | 1.34Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.33Å | Aromatic |
| C12 | O5 | sing | 1.36Å | 1.36Å | |
| C13 | C14 | sing | 1.39Å | 1.32Å | Aromatic |
| C13 | O4 | sing | 1.36Å | 1.28Å | |
| C14 | C15 | doub | 1.39Å | 1.34Å | Aromatic |
| C14 | O3 | sing | 1.36Å | 1.33Å | |
| O3 | C16 | sing | 1.43Å | 1.29Å | |
| O4 | C17 | sing | 1.43Å | 1.30Å | |
| O5 | C18 | sing | 1.43Å | 1.36Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.6° | 119.9° |
| C2 | C1 | O2 | 122.8° | 120.0° |
| C1 | C2 | C3 | 117.0° | 119.8° |
| C1 | C2 | O1 | 127.1° | 120.1° |
| C6 | C1 | O2 | 116.6° | 120.1° |
| C1 | C6 | C5 | 122.3° | 120.0° |
| C1 | C6 | H3 | 118.8° | 120.0° |
| C1 | O2 | H11 | 109.5° | 114.0° |
| C3 | C2 | O1 | 116.0° | 120.1° |
| C2 | C3 | C4 | 121.7° | 120.0° |
| C2 | C3 | H1 | 119.2° | 120.0° |
| C2 | O1 | C10 | 122.5° | 117.0° |
| C3 | C4 | C5 | 121.2° | 120.1° |
| C3 | C4 | H2 | 119.4° | 119.9° |
| C4 | C3 | H1 | 119.1° | 120.0° |
| C4 | C5 | C6 | 117.2° | 120.2° |
| C4 | C5 | C7 | 119.9° | 119.9° |
| C5 | C4 | H2 | 119.4° | 120.0° |
| C6 | C5 | C7 | 122.8° | 119.9° |
| C5 | C6 | H3 | 118.8° | 120.1° |
| C5 | C7 | C8 | 121.1° | 109.5° |
| C5 | C7 | H5 | 106.5° | 109.5° |
| C5 | C7 | H4 | 106.5° | 109.5° |
| C7 | C8 | C9 | 120.6° | 109.5° |
| C8 | C7 | H5 | 106.5° | 109.4° |
| C8 | C7 | H4 | 106.5° | 109.5° |
| C7 | C8 | H7 | 106.6° | 109.4° |
| C7 | C8 | H6 | 106.6° | 109.5° |
| C8 | C9 | C11 | 116.6° | 119.9° |
| C8 | C9 | C15 | 125.7° | 119.9° |
| C9 | C8 | H7 | 106.6° | 109.5° |
| C9 | C8 | H6 | 106.6° | 109.5° |
| C11 | C9 | C15 | 117.7° | 120.2° |
| C9 | C11 | C12 | 121.5° | 120.1° |
| C9 | C11 | H12 | 119.3° | 120.0° |
| C9 | C15 | C14 | 120.8° | 120.1° |
| C9 | C15 | H13 | 119.6° | 119.9° |
| O1 | C10 | H8 | 109.5° | 109.5° |
| O1 | C10 | H9 | 109.5° | 109.5° |
| O1 | C10 | H10 | 109.5° | 109.5° |
| C11 | C12 | C13 | 120.5° | 119.9° |
| C11 | C12 | O5 | 121.6° | 120.1° |
| C12 | C11 | H12 | 119.3° | 120.0° |
| C13 | C12 | O5 | 118.0° | 120.0° |
| C12 | C13 | C14 | 118.5° | 119.8° |
| C12 | C13 | O4 | 120.7° | 120.1° |
| C12 | O5 | C18 | 117.2° | 117.0° |
| C14 | C13 | O4 | 120.8° | 120.1° |
| C13 | C14 | C15 | 121.1° | 119.9° |
| C13 | C14 | O3 | 119.9° | 120.1° |
| C13 | O4 | C17 | 113.0° | 117.0° |
| C15 | C14 | O3 | 119.0° | 120.0° |
| C14 | C15 | H13 | 119.6° | 120.0° |
| C14 | O3 | C16 | 118.1° | 117.1° |
| O3 | C16 | H14 | 109.5° | 109.5° |
| O3 | C16 | H16 | 109.5° | 109.4° |
| O3 | C16 | H15 | 109.4° | 109.5° |
| O4 | C17 | H17 | 109.5° | 109.5° |
| O4 | C17 | H18 | 109.5° | 109.5° |
| O4 | C17 | H19 | 109.5° | 109.5° |
| O5 | C18 | H20 | 109.5° | 109.5° |
| O5 | C18 | H22 | 109.4° | 109.5° |
| O5 | C18 | H21 | 109.5° | 109.5° |
| H5 | C7 | H4 | 109.5° | 109.4° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.4° | 109.5° |
| H8 | C10 | H10 | 109.5° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H19 | 109.4° | 109.4° |
| H18 | C17 | H19 | 109.5° | 109.4° |
| H14 | C16 | H16 | 109.4° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C16 | H15 | 109.5° | 109.4° |
| H20 | C18 | H22 | 109.5° | 109.4° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H22 | C18 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O2 | 179.8° | 179.7° |
| C1 | C2 | C3 | O1 | 179.1° | 179.7° |
| C1 | C2 | C3 | C4 | 0.4° | 0.5° |
| C2 | C1 | C6 | C5 | 0.8° | 0.0° |
| C1 | C2 | O1 | C10 | 10.0° | 180.0° |
| C2 | C1 | C6 | H3 | 179.2° | 179.9° |
| C1 | C2 | C3 | H1 | 179.6° | 179.9° |
| C2 | C1 | O2 | H11 | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C6 | C1 | C2 | O1 | 179.4° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | C7 | 179.7° | 180.0° |
| C6 | C1 | O2 | H11 | 0.2° | 89.7° |
| O2 | C1 | C2 | C3 | 179.9° | 180.0° |
| O2 | C1 | C2 | O1 | 0.9° | 0.3° |
| O2 | C1 | C6 | C5 | 179.5° | 179.7° |
| O2 | C1 | C6 | H3 | 0.5° | 0.2° |
| C2 | C3 | C4 | H1 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.9° | 0.5° |
| C3 | C2 | O1 | C10 | 171.0° | 0.3° |
| C2 | C3 | C4 | H2 | 179.1° | 179.7° |
| O1 | C2 | C3 | C4 | 178.6° | 179.8° |
| C2 | O1 | C10 | H8 | 180.0° | 60.0° |
| C2 | O1 | C10 | H9 | 60.0° | 60.0° |
| C2 | O1 | C10 | H10 | 60.0° | 180.0° |
| O1 | C2 | C3 | H1 | 1.4° | 0.2° |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.5° | 0.2° |
| C3 | C4 | C5 | C7 | 178.9° | 179.8° |
| C4 | C5 | C6 | C7 | 179.4° | 179.9° |
| C4 | C5 | C7 | C8 | 2.7° | 90.0° |
| C4 | C5 | C6 | H3 | 179.7° | 180.0° |
| C4 | C5 | C7 | H5 | 118.9° | 150.1° |
| C4 | C5 | C7 | H4 | 124.4° | 30.1° |
| C5 | C4 | C3 | H1 | 179.1° | 180.0° |
| C6 | C5 | C7 | C8 | 177.8° | 90.0° |
| C6 | C5 | C4 | H2 | 179.5° | 180.0° |
| C6 | C5 | C7 | H5 | 60.6° | 30.0° |
| C6 | C5 | C7 | H4 | 56.2° | 150.0° |
| C5 | C7 | C8 | H5 | 121.6° | 120.0° |
| C5 | C7 | C8 | H4 | 121.6° | 120.1° |
| C5 | C7 | C8 | C9 | 68.7° | NaN° |
| C7 | C5 | C4 | H2 | 1.0° | 0.1° |
| C7 | C5 | C6 | H3 | 0.3° | 0.1° |
| C5 | C7 | H5 | H4 | 114.8° | 120.0° |
| C5 | C7 | C8 | H7 | 169.8° | 60.0° |
| C5 | C7 | C8 | H6 | 52.9° | 60.0° |
| C7 | C8 | C9 | H7 | 121.6° | 120.0° |
| C7 | C8 | C9 | H6 | 121.5° | 120.0° |
| C7 | C8 | C9 | C11 | 179.7° | 90.0° |
| C7 | C8 | C9 | C15 | 0.5° | 89.2° |
| C8 | C7 | H5 | H4 | 114.7° | 119.9° |
| C7 | C8 | H7 | H6 | 114.9° | 120.0° |
| C8 | C9 | C11 | C15 | 179.2° | 179.2° |
| C8 | C9 | C11 | C12 | 178.0° | 179.9° |
| C8 | C9 | C15 | C14 | 178.5° | 179.7° |
| C9 | C8 | C7 | H5 | 53.0° | 60.0° |
| C9 | C8 | C7 | H4 | 169.7° | 59.9° |
| C9 | C8 | H7 | H6 | 115.0° | 120.0° |
| C8 | C9 | C15 | H13 | 1.6° | 0.3° |
| C8 | C9 | C11 | H12 | 2.0° | 0.5° |
| C9 | C11 | C12 | H12 | 180.0° | 179.6° |
| C9 | C11 | C12 | C13 | 1.2° | 0.5° |
| C9 | C11 | C12 | O5 | 178.6° | 179.5° |
| C11 | C9 | C15 | C14 | 0.7° | 0.5° |
| C11 | C9 | C8 | H7 | 58.7° | 30.0° |
| C11 | C9 | C8 | H6 | 58.1° | 150.0° |
| C11 | C9 | C15 | H13 | 179.3° | 179.5° |
| C15 | C9 | C11 | C12 | 1.2° | 0.7° |
| C9 | C15 | C14 | C13 | 0.1° | 0.0° |
| C9 | C15 | C14 | H13 | 180.0° | 180.0° |
| C9 | C15 | C14 | O3 | 179.0° | 180.0° |
| C15 | C9 | C8 | H7 | 122.1° | 150.8° |
| C15 | C9 | C8 | H6 | 121.0° | 30.8° |
| C15 | C9 | C11 | H12 | 178.8° | 179.7° |
| O1 | C10 | H8 | H9 | 120.0° | 120.0° |
| O1 | C10 | H8 | H10 | 120.0° | 120.0° |
| O1 | C10 | H9 | H10 | 120.0° | 120.0° |
| C11 | C12 | C13 | O5 | 179.8° | 179.9° |
| C11 | C12 | C13 | C14 | 0.5° | 0.1° |
| C11 | C12 | C13 | O4 | 178.8° | 179.7° |
| C11 | C12 | O5 | C18 | 21.5° | 0.0° |
| C12 | C13 | C14 | O4 | 179.4° | 179.6° |
| C12 | C13 | C14 | C15 | 0.0° | 0.3° |
| C12 | C13 | C14 | O3 | 178.9° | 179.7° |
| C12 | C13 | O4 | C17 | 62.7° | 89.6° |
| C13 | C12 | O5 | C18 | 158.7° | 179.9° |
| C13 | C12 | C11 | H12 | 178.8° | 180.0° |
| O5 | C12 | C13 | C14 | 179.2° | 180.0° |
| O5 | C12 | C13 | O4 | 1.4° | 0.4° |
| O5 | C12 | C11 | H12 | 1.4° | 0.1° |
| C12 | O5 | C18 | H20 | 180.0° | 180.0° |
| C12 | O5 | C18 | H22 | 60.0° | 60.0° |
| C12 | O5 | C18 | H21 | 60.0° | 60.0° |
| C13 | C14 | C15 | O3 | 178.8° | 180.0° |
| C13 | C14 | O3 | C16 | 54.9° | 180.0° |
| C14 | C13 | O4 | C17 | 118.0° | 90.0° |
| C13 | C14 | C15 | H13 | 179.9° | 180.0° |
| O4 | C13 | C14 | C15 | 179.3° | 180.0° |
| O4 | C13 | C14 | O3 | 0.5° | 0.0° |
| C13 | O4 | C17 | H17 | 180.0° | 59.9° |
| C13 | O4 | C17 | H18 | 60.0° | 180.0° |
| C13 | O4 | C17 | H19 | 60.0° | 60.0° |
| C15 | C14 | O3 | C16 | 126.3° | 0.0° |
| O3 | C14 | C15 | H13 | 1.0° | 0.0° |
| C14 | O3 | C16 | H14 | 180.0° | 180.0° |
| C14 | O3 | C16 | H16 | 60.0° | 60.0° |
| C14 | O3 | C16 | H15 | 60.0° | 59.9° |
| O3 | C16 | H14 | H16 | 120.0° | 120.0° |
| O3 | C16 | H14 | H15 | 120.0° | 120.1° |
| O3 | C16 | H16 | H15 | 120.0° | 120.0° |
| O4 | C17 | H17 | H18 | 120.0° | 120.1° |
| O4 | C17 | H17 | H19 | 120.0° | 120.0° |
| O4 | C17 | H18 | H19 | 120.0° | 120.0° |
| O5 | C18 | H20 | H22 | 120.0° | 120.0° |
| O5 | C18 | H20 | H21 | 120.0° | 120.0° |
| O5 | C18 | H22 | H21 | 120.0° | 120.0° |
| H2 | C4 | C3 | H1 | 0.9° | 0.2° |
| H5 | C7 | C8 | H7 | 68.6° | 180.0° |
| H5 | C7 | C8 | H6 | 174.5° | 60.0° |
| H4 | C7 | C8 | H7 | 48.1° | 60.1° |
| H4 | C7 | C8 | H6 | 68.8° | 180.0° |
| H8 | C10 | H9 | H10 | 120.0° | 120.0° |
| H17 | C17 | H18 | H19 | 120.0° | 119.9° |
| H14 | C16 | H16 | H15 | 120.0° | 120.0° |
| H20 | C18 | H22 | H21 | 120.0° | 119.9° |
