F6Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | doub | 1.21Å | 1.22Å | |
C1 | C2 | sing | 1.47Å | 1.48Å | |
C1 | O2 | sing | 1.35Å | 1.46Å | |
C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
C2 | C19 | doub | 1.41Å | 1.37Å | Aromatic |
C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
C4 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
O2 | C5 | sing | 1.46Å | 1.44Å | |
C5 | C6 | sing | 1.51Å | 1.51Å | |
C5 | C18 | sing | 1.51Å | 1.51Å | |
C5 | C19 | sing | 1.50Å | 1.50Å | |
C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
C6 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
C9 | O3 | sing | 1.36Å | 1.36Å | |
C9 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C12 | O4 | sing | 1.35Å | 1.37Å | |
O4 | C13 | sing | 1.35Å | 1.37Å | |
C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
C15 | O5 | sing | 1.36Å | 1.36Å | |
C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
C20 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
C21 | C22 | sing | 1.48Å | 1.50Å | |
C22 | O6 | doub | 1.22Å | 1.22Å | |
C22 | O7 | sing | 1.35Å | 1.33Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
O3 | HA | sing | 0.97Å | 0.95Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
O5 | H5 | sing | 0.97Å | 0.95Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
O7 | H71 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 127.1° | 125.0° |
O1 | C1 | O2 | 125.7° | 125.0° |
C2 | C1 | O2 | 107.1° | 110.0° |
C1 | C2 | C3 | 130.5° | 130.8° |
C1 | C2 | C19 | 107.1° | 108.1° |
C1 | O2 | C5 | 109.8° | 109.2° |
C3 | C2 | C19 | 122.4° | 121.1° |
C2 | C3 | C4 | 117.6° | 117.0° |
C2 | C3 | H3 | 121.2° | 121.5° |
C2 | C19 | C5 | 112.2° | 106.4° |
C2 | C19 | C20 | 120.7° | 121.8° |
C3 | C4 | C21 | 120.4° | 121.7° |
C4 | C3 | H3 | 121.2° | 121.5° |
C3 | C4 | H4 | 119.8° | 119.2° |
C4 | C21 | C20 | 120.5° | 121.5° |
C4 | C21 | C22 | 120.1° | 119.2° |
C21 | C4 | H4 | 119.8° | 119.1° |
O2 | C5 | C6 | 111.3° | 109.5° |
O2 | C5 | C18 | 111.7° | 109.5° |
O2 | C5 | C19 | 103.7° | 106.3° |
C6 | C5 | C18 | 111.3° | 110.7° |
C6 | C5 | C19 | 109.2° | 110.3° |
C5 | C6 | C7 | 121.0° | 119.3° |
C5 | C6 | C12 | 119.4° | 120.7° |
C18 | C5 | C19 | 109.4° | 110.5° |
C5 | C18 | C13 | 119.2° | 120.7° |
C5 | C18 | C17 | 121.2° | 119.3° |
C5 | C19 | C20 | 127.1° | 131.8° |
C7 | C6 | C12 | 119.6° | 120.0° |
C6 | C7 | C8 | 120.1° | 120.2° |
C6 | C7 | H7 | 120.0° | 119.9° |
C6 | C12 | C11 | 120.4° | 119.8° |
C6 | C12 | O4 | 119.7° | 121.0° |
C7 | C8 | C9 | 120.1° | 120.0° |
C8 | C7 | H7 | 120.0° | 119.9° |
C7 | C8 | H8 | 120.0° | 120.0° |
C8 | C9 | O3 | 120.2° | 120.1° |
C8 | C9 | C11 | 119.9° | 119.9° |
C9 | C8 | H8 | 119.9° | 120.0° |
O3 | C9 | C11 | 120.0° | 120.1° |
C9 | O3 | HA | 109.5° | 114.0° |
C9 | C11 | C12 | 120.0° | 120.1° |
C9 | C11 | H11 | 120.0° | 120.0° |
C11 | C12 | O4 | 119.9° | 119.2° |
C12 | C11 | H11 | 120.0° | 119.9° |
C12 | O4 | C13 | 119.6° | 120.3° |
O4 | C13 | C14 | 119.8° | 119.2° |
O4 | C13 | C18 | 119.8° | 121.0° |
C14 | C13 | C18 | 120.4° | 119.8° |
C13 | C14 | C15 | 120.0° | 120.1° |
C13 | C14 | H14 | 120.0° | 119.9° |
C13 | C18 | C17 | 119.6° | 120.0° |
C14 | C15 | O5 | 120.0° | 120.1° |
C14 | C15 | C16 | 119.8° | 119.9° |
C15 | C14 | H14 | 120.0° | 119.9° |
O5 | C15 | C16 | 120.2° | 120.0° |
C15 | O5 | H5 | 109.5° | 114.0° |
C15 | C16 | C17 | 120.1° | 119.9° |
C15 | C16 | H16 | 119.9° | 120.1° |
C16 | C17 | C18 | 120.1° | 120.3° |
C17 | C16 | H16 | 119.9° | 120.0° |
C16 | C17 | H17 | 119.9° | 119.8° |
C18 | C17 | H17 | 120.0° | 119.8° |
C19 | C20 | C21 | 118.3° | 116.9° |
C19 | C20 | H20 | 120.8° | 121.5° |
C20 | C21 | C22 | 119.3° | 119.3° |
C21 | C20 | H20 | 120.8° | 121.6° |
C21 | C22 | O6 | 119.7° | 120.0° |
C21 | C22 | O7 | 119.0° | 120.0° |
O6 | C22 | O7 | 121.3° | 120.0° |
C22 | O7 | H71 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O2 | 179.7° | 179.8° |
O1 | C1 | C2 | C3 | 0.7° | 0.1° |
O1 | C1 | C2 | C19 | 179.4° | 180.0° |
O1 | C1 | O2 | C5 | 179.0° | 180.0° |
C1 | C2 | C3 | C19 | 179.9° | 180.0° |
C1 | C2 | C3 | C4 | 180.0° | 180.0° |
C2 | C1 | O2 | C5 | 0.7° | 0.2° |
C1 | C2 | C19 | C5 | 0.2° | 0.1° |
C1 | C2 | C19 | C20 | 179.9° | 180.0° |
C1 | C2 | C3 | H3 | 0.0° | 0.0° |
O2 | C1 | C2 | C3 | 179.7° | 179.7° |
O2 | C1 | C2 | C19 | 0.3° | 0.2° |
C1 | O2 | C5 | C6 | 118.0° | 119.2° |
C1 | O2 | C5 | C18 | 116.9° | 119.2° |
C1 | O2 | C5 | C19 | 0.8° | 0.1° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C21 | 0.2° | 0.0° |
C3 | C2 | C19 | C5 | 179.8° | 179.8° |
C3 | C2 | C19 | C20 | 0.1° | 0.0° |
C2 | C3 | C4 | H4 | 179.7° | 180.0° |
C19 | C2 | C3 | C4 | 0.0° | 0.0° |
C2 | C19 | C5 | O2 | 0.6° | 0.0° |
C2 | C19 | C5 | C6 | 119.3° | 118.6° |
C2 | C19 | C5 | C18 | 118.6° | 118.7° |
C2 | C19 | C5 | C20 | 179.7° | 179.8° |
C2 | C19 | C20 | C21 | 0.5° | 0.0° |
C19 | C2 | C3 | H3 | 180.0° | 180.0° |
C2 | C19 | C20 | H20 | 179.5° | 180.0° |
C3 | C4 | C21 | H4 | 180.0° | 179.9° |
C3 | C4 | C21 | C20 | 0.6° | 0.0° |
C3 | C4 | C21 | C22 | 179.4° | 179.9° |
C4 | C21 | C20 | C19 | 0.7° | 0.0° |
C4 | C21 | C20 | C22 | 178.9° | 180.0° |
C4 | C21 | C22 | O6 | 84.1° | 180.0° |
C4 | C21 | C22 | O7 | 95.8° | 0.1° |
C21 | C4 | C3 | H3 | 179.7° | 180.0° |
C4 | C21 | C20 | H20 | 179.3° | 180.0° |
O2 | C5 | C6 | C18 | 125.2° | 120.8° |
O2 | C5 | C6 | C19 | 113.9° | 116.6° |
O2 | C5 | C18 | C19 | 114.2° | 116.8° |
O2 | C5 | C6 | C7 | 30.1° | 41.9° |
O2 | C5 | C6 | C12 | 150.4° | 138.1° |
O2 | C5 | C18 | C13 | 150.2° | 138.2° |
O2 | C5 | C18 | C17 | 30.5° | 41.7° |
O2 | C5 | C19 | C20 | 179.7° | 179.8° |
C6 | C5 | C18 | C19 | 120.8° | 122.4° |
C5 | C6 | C7 | C12 | 179.5° | 179.9° |
C5 | C6 | C7 | C8 | 179.9° | 179.9° |
C5 | C6 | C12 | C11 | 179.9° | 179.9° |
C5 | C6 | C12 | O4 | 0.5° | 0.2° |
C6 | C5 | C18 | C13 | 25.1° | 17.4° |
C6 | C5 | C18 | C17 | 155.5° | 162.5° |
C6 | C5 | C19 | C20 | 61.0° | 61.2° |
C5 | C6 | C7 | H7 | 0.1° | 0.0° |
C18 | C5 | C6 | C7 | 155.3° | 162.7° |
C18 | C5 | C6 | C12 | 25.2° | 17.3° |
C5 | C18 | C13 | O4 | 0.5° | 0.0° |
C5 | C18 | C13 | C14 | 179.8° | 180.0° |
C5 | C18 | C13 | C17 | 179.3° | 179.9° |
C5 | C18 | C17 | C16 | 179.7° | 179.9° |
C18 | C5 | C19 | C20 | 61.1° | 61.5° |
C5 | C18 | C17 | H17 | 0.3° | 0.0° |
C19 | C5 | C6 | C7 | 83.8° | 74.7° |
C19 | C5 | C6 | C12 | 95.7° | 105.3° |
C19 | C5 | C18 | C13 | 95.6° | 105.0° |
C19 | C5 | C18 | C17 | 83.7° | 75.0° |
C5 | C19 | C20 | C21 | 179.9° | 179.8° |
C5 | C19 | C20 | H20 | 0.1° | 0.2° |
C6 | C7 | C8 | H7 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.2° | 0.0° |
C7 | C6 | C12 | C11 | 0.4° | 0.2° |
C7 | C6 | C12 | O4 | 180.0° | 179.7° |
C6 | C7 | C8 | H8 | 179.8° | 179.9° |
C12 | C6 | C7 | C8 | 0.4° | 0.1° |
C6 | C12 | C11 | C9 | 0.3° | 0.1° |
C6 | C12 | C11 | O4 | 179.6° | 179.9° |
C6 | C12 | O4 | C13 | 27.4° | 20.2° |
C12 | C6 | C7 | H7 | 179.6° | 179.9° |
C6 | C12 | C11 | H11 | 179.7° | 179.9° |
C7 | C8 | C9 | H8 | 180.0° | 179.9° |
C7 | C8 | C9 | O3 | 180.0° | 180.0° |
C7 | C8 | C9 | C11 | 0.1° | 0.0° |
C8 | C9 | O3 | C11 | 180.0° | 180.0° |
C8 | C9 | C11 | C12 | 0.1° | 0.0° |
C9 | C8 | C7 | H7 | 179.8° | 180.0° |
C8 | C9 | O3 | HA | 72.5° | 90.0° |
C8 | C9 | C11 | H11 | 179.9° | 180.0° |
O3 | C9 | C11 | C12 | 179.9° | 180.0° |
O3 | C9 | C8 | H8 | 0.0° | 0.1° |
O3 | C9 | C11 | H11 | 0.1° | 0.0° |
C9 | C11 | C12 | H11 | 180.0° | 180.0° |
C9 | C11 | C12 | O4 | 179.9° | 179.8° |
C11 | C9 | C8 | H8 | 179.9° | 179.9° |
C11 | C9 | O3 | HA | 107.5° | 90.0° |
C11 | C12 | O4 | C13 | 152.2° | 159.9° |
C12 | O4 | C13 | C14 | 152.3° | 159.9° |
C12 | O4 | C13 | C18 | 27.3° | 20.1° |
O4 | C12 | C11 | H11 | 0.1° | 0.2° |
O4 | C13 | C14 | C18 | 179.7° | 180.0° |
O4 | C13 | C14 | C15 | 180.0° | 180.0° |
O4 | C13 | C18 | C17 | 179.9° | 180.0° |
O4 | C13 | C14 | H14 | 0.0° | 0.1° |
C13 | C14 | C15 | H14 | 180.0° | 179.9° |
C13 | C14 | C15 | O5 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 0.1° | 0.1° |
C14 | C13 | C18 | C17 | 0.5° | 0.0° |
C18 | C13 | C14 | C15 | 0.3° | 0.0° |
C13 | C18 | C17 | C16 | 0.4° | 0.0° |
C18 | C13 | C14 | H14 | 179.7° | 179.9° |
C13 | C18 | C17 | H17 | 179.6° | 180.0° |
C14 | C15 | O5 | C16 | 179.9° | 179.9° |
C14 | C15 | C16 | C17 | 0.1° | 0.1° |
C14 | C15 | O5 | H5 | 109.3° | 89.9° |
C14 | C15 | C16 | H16 | 180.0° | 180.0° |
O5 | C15 | C16 | C17 | 180.0° | 180.0° |
O5 | C15 | C14 | H14 | 0.0° | 0.2° |
O5 | C15 | C16 | H16 | 0.1° | 0.1° |
C15 | C16 | C17 | H16 | 180.0° | 179.9° |
C15 | C16 | C17 | C18 | 0.2° | 0.1° |
C16 | C15 | C14 | H14 | 179.9° | 179.9° |
C16 | C15 | O5 | H5 | 70.8° | 90.0° |
C15 | C16 | C17 | H17 | 179.8° | 180.0° |
C16 | C17 | C18 | H17 | 180.0° | 180.0° |
C18 | C17 | C16 | H16 | 179.8° | 180.0° |
C19 | C20 | C21 | H20 | 180.0° | 180.0° |
C19 | C20 | C21 | C22 | 179.6° | 179.9° |
C20 | C21 | C22 | O6 | 97.1° | 0.0° |
C20 | C21 | C22 | O7 | 83.0° | 180.0° |
C20 | C21 | C4 | H4 | 179.4° | 180.0° |
C21 | C22 | O6 | O7 | 179.9° | 180.0° |
C22 | C21 | C4 | H4 | 0.5° | 0.0° |
C22 | C21 | C20 | H20 | 0.4° | 0.0° |
C21 | C22 | O7 | H71 | 180.0° | 180.0° |
O6 | C22 | O7 | H71 | 0.0° | 0.0° |
H3 | C3 | C4 | H4 | 0.3° | 0.1° |
H7 | C7 | C8 | H8 | 0.2° | 0.1° |
H16 | C16 | C17 | H17 | 0.2° | 0.0° |