F6Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | doub | 1.22Å | 1.22Å | |
C1 | C2 | sing | 1.46Å | 1.49Å | |
C1 | O2 | sing | 1.35Å | 1.46Å | |
C2 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
C2 | C19 | doub | 1.41Å | 1.36Å | Aromatic |
C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
C4 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
C4 | C25 | sing | 1.48Å | 1.50Å | |
O2 | C5 | sing | 1.46Å | 1.44Å | |
C5 | C6 | sing | 1.51Å | 1.50Å | |
C5 | C18 | sing | 1.50Å | 1.49Å | |
C5 | C19 | sing | 1.50Å | 1.51Å | |
C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
C6 | C12 | doub | 1.39Å | 1.49Å | 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 | 1.48Å | 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 | 1.39Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
O6 | C25 | doub | 1.21Å | 1.22Å | |
C25 | O7 | sing | 1.35Å | 1.37Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C21 | H21 | 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 | 127.6° | 125.0° |
O1 | C1 | O2 | 125.6° | 124.9° |
C2 | C1 | O2 | 106.8° | 110.1° |
C1 | C2 | C3 | 131.1° | 130.9° |
C1 | C2 | C19 | 106.8° | 108.2° |
C1 | O2 | C5 | 108.7° | 109.1° |
C3 | C2 | C19 | 122.1° | 120.9° |
C2 | C3 | C4 | 118.2° | 116.7° |
C2 | C3 | H3 | 120.9° | 121.6° |
C2 | C19 | C5 | 112.0° | 106.3° |
C2 | C19 | C20 | 120.6° | 122.0° |
C3 | C4 | C21 | 120.1° | 121.5° |
C3 | C4 | C25 | 120.2° | 119.2° |
C4 | C3 | H3 | 120.9° | 121.6° |
C21 | C4 | C25 | 119.7° | 119.2° |
C4 | C21 | C20 | 120.6° | 121.7° |
C4 | C21 | H21 | 119.7° | 119.1° |
C4 | C25 | O6 | 122.0° | 120.0° |
C4 | C25 | O7 | 117.5° | 120.0° |
O2 | C5 | C6 | 107.7° | 109.5° |
O2 | C5 | C18 | 115.7° | 109.5° |
O2 | C5 | C19 | 103.3° | 106.3° |
C6 | C5 | C18 | 110.4° | 110.7° |
C6 | C5 | C19 | 115.7° | 110.6° |
C5 | C6 | C7 | 119.7° | 119.3° |
C5 | C6 | C12 | 121.2° | 120.7° |
C18 | C5 | C19 | 104.1° | 110.2° |
C5 | C18 | C13 | 121.8° | 120.7° |
C5 | C18 | C17 | 118.3° | 119.3° |
C5 | C19 | C20 | 127.3° | 131.7° |
C7 | C6 | C12 | 119.0° | 120.0° |
C6 | C7 | C8 | 119.9° | 120.3° |
C6 | C7 | H7 | 120.0° | 119.9° |
C6 | C12 | C11 | 118.8° | 119.7° |
C6 | C12 | O4 | 120.5° | 121.0° |
C7 | C8 | C9 | 121.6° | 120.0° |
C8 | C7 | H7 | 120.0° | 119.8° |
C7 | C8 | H8 | 119.2° | 120.0° |
C8 | C9 | O3 | 118.5° | 120.0° |
C8 | C9 | C11 | 120.7° | 119.9° |
C9 | C8 | H8 | 119.2° | 120.0° |
O3 | C9 | C11 | 120.8° | 120.0° |
C9 | O3 | HA | 109.5° | 114.0° |
C9 | C11 | C12 | 119.9° | 120.1° |
C9 | C11 | H11 | 120.0° | 120.0° |
C11 | C12 | O4 | 120.7° | 119.2° |
C12 | C11 | H11 | 120.0° | 119.9° |
C12 | O4 | C13 | 119.2° | 120.2° |
O4 | C13 | C14 | 121.5° | 119.2° |
O4 | C13 | C18 | 120.2° | 121.0° |
C14 | C13 | C18 | 118.3° | 119.8° |
C13 | C14 | C15 | 119.7° | 120.1° |
C13 | C14 | H14 | 120.2° | 119.9° |
C13 | C18 | C17 | 119.8° | 119.9° |
C14 | C15 | O5 | 120.2° | 120.0° |
C14 | C15 | C16 | 121.7° | 119.9° |
C15 | C14 | H14 | 120.1° | 120.0° |
O5 | C15 | C16 | 118.1° | 120.0° |
C15 | O5 | H5 | 109.5° | 114.1° |
C15 | C16 | C17 | 120.7° | 119.9° |
C15 | C16 | H16 | 119.6° | 120.0° |
C16 | C17 | C18 | 119.8° | 120.4° |
C17 | C16 | H16 | 119.7° | 120.0° |
C16 | C17 | H17 | 120.1° | 119.9° |
C18 | C17 | H17 | 120.1° | 119.8° |
C19 | C20 | C21 | 118.3° | 117.2° |
C19 | C20 | H20 | 120.8° | 121.4° |
C20 | C21 | H21 | 119.7° | 119.2° |
C21 | C20 | H20 | 120.8° | 121.4° |
O6 | C25 | O7 | 120.5° | 120.0° |
C25 | 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 | 179.3° | 179.7° |
O1 | C1 | C2 | C3 | 11.1° | 0.0° |
O1 | C1 | C2 | C19 | 169.2° | 179.9° |
O1 | C1 | O2 | C5 | 163.6° | 180.0° |
C1 | C2 | C3 | C19 | 179.6° | 179.9° |
C1 | C2 | C3 | C4 | 178.9° | 180.0° |
C2 | C1 | O2 | C5 | 15.8° | 0.3° |
C1 | C2 | C19 | C5 | 1.0° | 0.1° |
C1 | C2 | C19 | C20 | 178.3° | 179.9° |
C1 | C2 | C3 | H3 | 1.1° | 0.0° |
O2 | C1 | C2 | C3 | 169.5° | 179.7° |
O2 | C1 | C2 | C19 | 10.1° | 0.2° |
C1 | O2 | C5 | C6 | 108.3° | 119.2° |
C1 | O2 | C5 | C18 | 127.6° | 119.3° |
C1 | O2 | C5 | C19 | 14.6° | 0.2° |
C2 | C3 | C4 | H3 | 180.0° | 179.9° |
C2 | C3 | C4 | C21 | 0.3° | 0.1° |
C2 | C3 | C4 | C25 | 179.9° | 180.0° |
C3 | C2 | C19 | C5 | 178.7° | 179.8° |
C3 | C2 | C19 | C20 | 1.4° | 0.1° |
C19 | C2 | C3 | C4 | 0.7° | 0.1° |
C2 | C19 | C5 | O2 | 8.5° | 0.0° |
C2 | C19 | C5 | C6 | 108.9° | 118.7° |
C2 | C19 | C5 | C18 | 129.7° | 118.6° |
C2 | C19 | C5 | C20 | 177.1° | 179.9° |
C2 | C19 | C20 | C21 | 1.5° | 0.1° |
C19 | C2 | C3 | H3 | 179.3° | 180.0° |
C2 | C19 | C20 | H20 | 178.5° | 180.0° |
C3 | C4 | C21 | C25 | 179.6° | 179.9° |
C3 | C4 | C21 | C20 | 0.5° | 0.0° |
C3 | C4 | C25 | O6 | 27.5° | 0.0° |
C3 | C4 | C25 | O7 | 151.8° | 180.0° |
C3 | C4 | C21 | H21 | 179.5° | 180.0° |
C4 | C21 | C20 | C19 | 1.1° | 0.0° |
C4 | C21 | C20 | H21 | 180.0° | 180.0° |
C21 | C4 | C25 | O6 | 152.9° | 180.0° |
C21 | C4 | C25 | O7 | 27.8° | 0.0° |
C21 | C4 | C3 | H3 | 179.7° | 180.0° |
C4 | C21 | C20 | H20 | 178.9° | 180.0° |
C25 | C4 | C21 | C20 | 179.9° | 180.0° |
C4 | C25 | O6 | O7 | 179.3° | 180.0° |
C25 | C4 | C3 | H3 | 0.1° | 0.1° |
C25 | C4 | C21 | H21 | 0.1° | 0.1° |
C4 | C25 | O7 | H71 | 179.3° | 180.0° |
O2 | C5 | C6 | C18 | 127.2° | 120.8° |
O2 | C5 | C6 | C19 | 114.9° | 116.8° |
O2 | C5 | C18 | C19 | 112.6° | 116.6° |
O2 | C5 | C6 | C7 | 70.4° | 41.9° |
O2 | C5 | C6 | C12 | 107.8° | 138.1° |
O2 | C5 | C18 | C13 | 104.7° | 138.1° |
O2 | C5 | C18 | C17 | 78.1° | 41.7° |
O2 | C5 | C19 | C20 | 168.6° | 179.9° |
C6 | C5 | C18 | C19 | 124.8° | 122.6° |
C5 | C6 | C7 | C12 | 178.3° | 179.9° |
C5 | C6 | C7 | C8 | 179.4° | 180.0° |
C5 | C6 | C12 | C11 | 179.3° | 179.9° |
C5 | C6 | C12 | O4 | 1.1° | 0.1° |
C6 | C5 | C18 | C13 | 18.0° | 17.4° |
C6 | C5 | C18 | C17 | 159.2° | 162.5° |
C6 | C5 | C19 | C20 | 73.9° | 61.4° |
C5 | C6 | C7 | H7 | 0.6° | 0.0° |
C18 | C5 | C6 | C7 | 162.4° | 162.7° |
C18 | C5 | C6 | C12 | 19.4° | 17.4° |
C5 | C18 | C13 | O4 | 1.9° | 0.1° |
C5 | C18 | C13 | C14 | 178.7° | 180.0° |
C5 | C18 | C13 | C17 | 177.2° | 179.9° |
C5 | C18 | C17 | C16 | 178.8° | 180.0° |
C18 | C5 | C19 | C20 | 47.4° | 61.4° |
C5 | C18 | C17 | H17 | 1.2° | 0.1° |
C19 | C5 | C6 | C7 | 44.5° | 74.8° |
C19 | C5 | C6 | C12 | 137.2° | 105.1° |
C19 | C5 | C18 | C13 | 142.8° | 105.3° |
C19 | C5 | C18 | C17 | 34.4° | 74.9° |
C5 | C19 | C20 | C21 | 178.4° | 179.9° |
C5 | C19 | C20 | H20 | 1.6° | 0.1° |
C6 | C7 | C8 | H7 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.5° | 0.0° |
C7 | C6 | C12 | C11 | 1.1° | 0.2° |
C7 | C6 | C12 | O4 | 179.4° | 179.8° |
C6 | C7 | C8 | H8 | 179.5° | 179.9° |
C12 | C6 | C7 | C8 | 1.1° | 0.1° |
C6 | C12 | C11 | C9 | 0.4° | 0.1° |
C6 | C12 | C11 | O4 | 179.5° | 180.0° |
C6 | C12 | O4 | C13 | 21.2° | 20.2° |
C12 | C6 | C7 | H7 | 178.9° | 179.9° |
C6 | C12 | C11 | H11 | 179.6° | 179.8° |
C7 | C8 | C9 | H8 | 180.0° | 179.9° |
C7 | C8 | C9 | O3 | 179.9° | 179.9° |
C7 | C8 | C9 | C11 | 0.1° | 0.1° |
C8 | C9 | O3 | C11 | 179.8° | 180.0° |
C8 | C9 | C11 | C12 | 0.1° | 0.0° |
C9 | C8 | C7 | H7 | 179.5° | 180.0° |
C8 | C9 | O3 | HA | 109.9° | 90.0° |
C8 | C9 | C11 | H11 | 179.9° | 180.0° |
O3 | C9 | C11 | C12 | 179.9° | 180.0° |
O3 | C9 | C8 | H8 | 0.1° | 0.0° |
O3 | C9 | C11 | H11 | 0.1° | 0.0° |
C9 | C11 | C12 | H11 | 180.0° | 180.0° |
C9 | C11 | C12 | O4 | 179.9° | 179.9° |
C11 | C9 | C8 | H8 | 179.9° | 180.0° |
C11 | C9 | O3 | HA | 70.3° | 90.0° |
C11 | C12 | O4 | C13 | 158.3° | 159.8° |
C12 | O4 | C13 | C14 | 157.9° | 159.9° |
C12 | O4 | C13 | C18 | 22.7° | 20.2° |
O4 | C12 | C11 | H11 | 0.1° | 0.2° |
O4 | C13 | C14 | C18 | 179.5° | 179.9° |
O4 | C13 | C14 | C15 | 179.8° | 180.0° |
O4 | C13 | C18 | C17 | 179.1° | 180.0° |
O4 | C13 | C14 | H14 | 0.2° | 0.1° |
C13 | C14 | C15 | H14 | 180.0° | 180.0° |
C13 | C14 | C15 | O5 | 179.9° | 179.9° |
C13 | C14 | C15 | C16 | 0.1° | 0.0° |
C14 | C13 | C18 | C17 | 1.5° | 0.1° |
C18 | C13 | C14 | C15 | 0.7° | 0.0° |
C13 | C18 | C17 | C16 | 1.5° | 0.1° |
C18 | C13 | C14 | H14 | 179.3° | 180.0° |
C13 | C18 | C17 | H17 | 178.5° | 179.9° |
C14 | C15 | O5 | C16 | 180.0° | 179.9° |
C14 | C15 | C16 | C17 | 0.1° | 0.0° |
C14 | C15 | O5 | H5 | 116.1° | 90.0° |
C14 | C15 | C16 | H16 | 179.9° | 180.0° |
O5 | C15 | C16 | C17 | 179.9° | 179.9° |
O5 | C15 | C14 | H14 | 0.1° | 0.1° |
O5 | C15 | C16 | H16 | 0.1° | 0.1° |
C15 | C16 | C17 | H16 | 180.0° | 179.9° |
C15 | C16 | C17 | C18 | 0.9° | 0.1° |
C16 | C15 | C14 | H14 | 179.9° | 180.0° |
C16 | C15 | O5 | H5 | 63.9° | 89.9° |
C15 | C16 | C17 | H17 | 179.1° | 180.0° |
C16 | C17 | C18 | H17 | 180.0° | 180.0° |
C18 | C17 | C16 | H16 | 179.1° | 180.0° |
C19 | C20 | C21 | H20 | 180.0° | 180.0° |
C19 | C20 | C21 | H21 | 178.9° | 180.0° |
O6 | C25 | O7 | H71 | 0.0° | 0.1° |
H21 | C21 | C20 | H20 | 1.1° | 0.0° |
H7 | C7 | C8 | H8 | 0.5° | 0.1° |
H16 | C16 | C17 | H17 | 0.9° | 0.0° |