O8K
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.52Å | |
C2 | C3 | doub | 1.31Å | 1.35Å | |
C2 | C20 | sing | 1.51Å | 1.52Å | |
C3 | C4 | sing | 1.51Å | 1.52Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | C6 | sing | 1.53Å | 1.54Å | |
C6 | O7 | sing | 1.43Å | 1.41Å | |
C6 | C8 | sing | 1.53Å | 1.53Å | |
C8 | O9 | sing | 1.43Å | 1.41Å | |
C8 | C11 | sing | 1.51Å | 1.52Å | |
O9 | C10 | sing | 1.43Å | 1.41Å | |
C11 | C12 | doub | 1.31Å | 1.34Å | |
C12 | C13 | sing | 1.51Å | 1.52Å | |
C13 | C14 | sing | 1.53Å | 1.54Å | |
C14 | C15 | sing | 1.53Å | 1.54Å | |
C15 | C16 | sing | 1.53Å | 1.54Å | |
C16 | C17 | sing | 1.51Å | 1.52Å | |
C17 | O18 | doub | 1.21Å | 1.21Å | |
C17 | C19 | sing | 1.51Å | 1.52Å | |
C19 | C20 | sing | 1.53Å | 1.53Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H1A | sing | 1.09Å | 1.10Å | |
C1 | H1B | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C5 | H5B | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C10 | H10B | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H14A | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H19A | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C2 | C3 | 118.2° | 119.1° |
C1 | C2 | C20 | 110.6° | 119.3° |
C2 | C1 | H1 | 109.5° | 109.4° |
C2 | C1 | H1A | 109.5° | 109.4° |
C2 | C1 | H1B | 109.4° | 109.5° |
C3 | C2 | C20 | 131.1° | 121.7° |
C2 | C3 | C4 | 134.6° | 121.8° |
C2 | C3 | H3 | 112.7° | 118.9° |
C2 | C20 | C19 | 119.1° | 109.7° |
C2 | C20 | H20 | 106.4° | 109.6° |
C2 | C20 | H20A | 106.4° | 110.3° |
C3 | C4 | C5 | 115.8° | 109.4° |
C3 | C4 | C6 | 112.8° | 109.7° |
C4 | C3 | H3 | 112.7° | 119.3° |
C3 | C4 | H4 | 107.1° | 109.8° |
C5 | C4 | C6 | 119.6° | 108.7° |
C5 | C4 | H4 | 96.6° | 109.7° |
C4 | C5 | H5 | 109.5° | 109.5° |
C4 | C5 | H5A | 109.5° | 109.4° |
C4 | C5 | H5B | 109.5° | 109.5° |
C4 | C6 | O7 | 111.2° | 109.4° |
C4 | C6 | C8 | 118.8° | 110.3° |
C6 | C4 | H4 | 101.3° | 109.5° |
C4 | C6 | H6 | 101.4° | 109.0° |
O7 | C6 | C8 | 109.8° | 109.7° |
O7 | C6 | H6 | 112.1° | 109.4° |
C6 | O7 | HO7 | 109.5° | 114.0° |
C6 | C8 | O9 | 108.6° | 109.6° |
C6 | C8 | C11 | 113.9° | 110.4° |
C8 | C6 | H6 | 103.1° | 109.0° |
C6 | C8 | H8 | 109.1° | 109.2° |
O9 | C8 | C11 | 114.6° | 109.7° |
C8 | O9 | C10 | 113.5° | 114.0° |
O9 | C8 | H8 | 108.2° | 108.7° |
C8 | C11 | C12 | 127.0° | 120.1° |
C11 | C8 | H8 | 102.2° | 109.2° |
C8 | C11 | H11 | 116.5° | 119.9° |
O9 | C10 | H10 | 109.5° | 109.5° |
O9 | C10 | H10A | 109.5° | 109.5° |
O9 | C10 | H10B | 109.5° | 109.4° |
C11 | C12 | C13 | 126.1° | 120.2° |
C12 | C11 | H11 | 116.5° | 120.0° |
C11 | C12 | H12 | 116.9° | 120.3° |
C12 | C13 | C14 | 117.2° | 109.2° |
C13 | C12 | H12 | 117.0° | 119.5° |
C12 | C13 | H13 | 107.0° | 109.9° |
C12 | C13 | H13A | 107.0° | 109.6° |
C13 | C14 | C15 | 112.3° | 109.2° |
C14 | C13 | H13 | 107.0° | 109.6° |
C14 | C13 | H13A | 107.0° | 109.3° |
C13 | C14 | H14 | 108.6° | 109.7° |
C13 | C14 | H14A | 108.6° | 109.1° |
C14 | C15 | C16 | 113.4° | 109.4° |
C15 | C14 | H14 | 108.5° | 109.7° |
C15 | C14 | H14A | 108.6° | 109.4° |
C14 | C15 | H15 | 108.2° | 109.3° |
C14 | C15 | H15A | 108.2° | 109.7° |
C15 | C16 | C17 | 113.7° | 109.4° |
C16 | C15 | H15 | 108.1° | 109.3° |
C16 | C15 | H15A | 108.2° | 109.7° |
C15 | C16 | H16 | 108.1° | 109.3° |
C15 | C16 | H16A | 108.1° | 109.7° |
C16 | C17 | O18 | 121.8° | 119.9° |
C16 | C17 | C19 | 116.5° | 120.2° |
C17 | C16 | H16 | 108.1° | 109.4° |
C17 | C16 | H16A | 108.1° | 109.6° |
O18 | C17 | C19 | 121.6° | 120.0° |
C17 | C19 | C20 | 115.6° | 109.5° |
C17 | C19 | H19 | 107.5° | 109.4° |
C17 | C19 | H19A | 107.5° | 109.4° |
C20 | C19 | H19 | 107.5° | 109.7° |
C20 | C19 | H19A | 107.5° | 109.3° |
C19 | C20 | H20 | 106.3° | 109.5° |
C19 | C20 | H20A | 106.4° | 109.1° |
H1 | C1 | H1A | 109.5° | 109.5° |
H1 | C1 | H1B | 109.5° | 109.5° |
H1A | C1 | H1B | 109.5° | 109.5° |
H5 | C5 | H5A | 109.5° | 109.5° |
H5 | C5 | H5B | 109.4° | 109.5° |
H5A | C5 | H5B | 109.4° | 109.5° |
H10 | C10 | H10A | 109.4° | 109.5° |
H10 | C10 | H10B | 109.5° | 109.5° |
H10A | C10 | H10B | 109.5° | 109.5° |
H13 | C13 | H13A | 111.9° | 109.3° |
H14 | C14 | H14A | 110.3° | 109.7° |
H15 | C15 | H15A | 110.8° | 109.4° |
H16 | C16 | H16A | 110.8° | 109.4° |
H19 | C19 | H19A | 111.4° | 109.6° |
H20 | C20 | H20A | 112.4° | 108.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C2 | C3 | C20 | 177.0° | 179.7° |
C1 | C2 | C3 | C4 | 175.6° | 179.2° |
C1 | C2 | C20 | C19 | 158.7° | 80.7° |
C2 | C1 | H1 | H1A | 120.0° | 119.9° |
C2 | C1 | H1 | H1B | 120.0° | 120.0° |
C2 | C1 | H1A | H1B | 120.0° | 120.0° |
C1 | C2 | C3 | H3 | 4.4° | 1.1° |
C1 | C2 | C20 | H20 | 38.8° | 39.5° |
C1 | C2 | C20 | H20A | 81.3° | 159.2° |
C2 | C3 | C4 | H3 | 180.0° | 179.7° |
C2 | C3 | C4 | C5 | 68.6° | 86.4° |
C2 | C3 | C4 | C6 | 74.4° | 154.5° |
C3 | C2 | C20 | C19 | 24.1° | 99.0° |
C3 | C2 | C1 | H1 | 180.0° | 0.0° |
C3 | C2 | C1 | H1A | 60.0° | 120.0° |
C3 | C2 | C1 | H1B | 60.0° | 120.0° |
C2 | C3 | C4 | H4 | 175.0° | 34.1° |
C3 | C2 | C20 | H20 | 144.1° | 140.8° |
C3 | C2 | C20 | H20A | 95.9° | 21.1° |
C20 | C2 | C3 | C4 | 1.4° | 1.1° |
C2 | C20 | C19 | C17 | 176.8° | 177.1° |
C2 | C20 | C19 | H20 | 120.0° | 120.3° |
C2 | C20 | C19 | H20A | 120.0° | 120.9° |
C20 | C2 | C1 | H1 | 2.4° | 179.7° |
C20 | C2 | C1 | H1A | 122.4° | 60.3° |
C20 | C2 | C1 | H1B | 117.6° | 59.7° |
C20 | C2 | C3 | H3 | 178.6° | 178.6° |
C2 | C20 | C19 | H19 | 63.2° | 57.0° |
C2 | C20 | C19 | H19A | 56.8° | 63.1° |
C2 | C20 | H20 | H20A | 116.0° | 120.6° |
C3 | C4 | C5 | C6 | 140.3° | 119.8° |
C3 | C4 | C5 | H4 | 112.6° | 120.5° |
C3 | C4 | C6 | H4 | 114.1° | 120.6° |
C3 | C4 | C6 | O7 | 39.8° | 118.9° |
C3 | C4 | C6 | C8 | 168.5° | 120.3° |
C3 | C4 | C5 | H5 | 180.0° | 60.0° |
C3 | C4 | C5 | H5A | 60.0° | 180.0° |
C3 | C4 | C5 | H5B | 60.0° | 60.0° |
C3 | C4 | C6 | H6 | 79.5° | 0.7° |
C5 | C4 | C6 | H4 | 104.4° | 119.9° |
C5 | C4 | C6 | O7 | 101.7° | 0.6° |
C5 | C4 | C6 | C8 | 27.1° | 120.1° |
C5 | C4 | C3 | H3 | 111.4° | 94.0° |
C4 | C5 | H5 | H5A | 120.0° | 120.0° |
C4 | C5 | H5 | H5B | 120.0° | 120.0° |
C4 | C5 | H5A | H5B | 120.0° | 120.0° |
C5 | C4 | C6 | H6 | 139.0° | 120.2° |
C4 | C6 | O7 | C8 | 133.4° | 121.1° |
C4 | C6 | O7 | H6 | 112.7° | 119.4° |
C4 | C6 | C8 | H6 | 111.0° | 119.7° |
C4 | C6 | C8 | O9 | 51.4° | 79.9° |
C4 | C6 | C8 | C11 | 77.5° | 41.1° |
C6 | C4 | C3 | H3 | 105.6° | 25.2° |
C6 | C4 | C5 | H5 | 39.6° | 59.8° |
C6 | C4 | C5 | H5A | 159.7° | 60.2° |
C6 | C4 | C5 | H5B | 80.3° | 179.8° |
C4 | C6 | O7 | HO7 | 180.0° | 180.0° |
C4 | C6 | C8 | H8 | 169.1° | 161.2° |
O7 | C6 | C8 | H6 | 119.6° | 119.7° |
O7 | C6 | C8 | O9 | 179.2° | 159.5° |
O7 | C6 | C8 | C11 | 51.9° | 79.5° |
O7 | C6 | C4 | H4 | 153.9° | 120.5° |
O7 | C6 | C8 | H8 | 61.5° | 40.6° |
C6 | C8 | O9 | C11 | 128.5° | 121.4° |
C6 | C8 | O9 | H8 | 118.2° | 119.3° |
C6 | C8 | C11 | H8 | 117.4° | 120.1° |
C6 | C8 | O9 | C10 | 150.0° | 150.0° |
C6 | C8 | C11 | C12 | 123.5° | 136.9° |
C8 | C6 | C4 | H4 | 77.4° | 0.2° |
C8 | C6 | O7 | HO7 | 46.6° | 58.8° |
C6 | C8 | C11 | H11 | 56.5° | 43.6° |
O9 | C8 | C11 | H8 | 116.8° | 119.0° |
O9 | C8 | C11 | C12 | 2.3° | 16.0° |
O9 | C8 | C6 | H6 | 59.6° | 39.8° |
C8 | O9 | C10 | H10 | 180.0° | 60.0° |
C8 | O9 | C10 | H10A | 60.0° | 60.0° |
C8 | O9 | C10 | H10B | 60.0° | 180.0° |
O9 | C8 | C11 | H11 | 177.7° | 164.5° |
C11 | C8 | O9 | C10 | 81.5° | 88.6° |
C8 | C11 | C12 | H11 | 180.0° | 179.5° |
C8 | C11 | C12 | C13 | 175.9° | 179.5° |
C11 | C8 | C6 | H6 | 171.5° | 160.8° |
C8 | C11 | C12 | H12 | 4.1° | 1.0° |
C10 | O9 | C8 | H8 | 31.7° | 30.7° |
O9 | C10 | H10 | H10A | 120.0° | 120.1° |
O9 | C10 | H10 | H10B | 120.0° | 120.0° |
O9 | C10 | H10A | H10B | 120.0° | 120.0° |
C11 | C12 | C13 | H12 | 180.0° | 179.5° |
C11 | C12 | C13 | C14 | 22.0° | 133.2° |
C12 | C11 | C8 | H8 | 119.1° | 103.0° |
C11 | C12 | C13 | H13 | 98.0° | 13.0° |
C11 | C12 | C13 | H13A | 142.0° | 107.1° |
C12 | C13 | C14 | H13 | 120.0° | 120.4° |
C12 | C13 | C14 | H13A | 120.0° | 119.8° |
C12 | C13 | C14 | C15 | 64.4° | 77.7° |
C13 | C12 | C11 | H11 | 4.1° | 0.9° |
C12 | C13 | H13 | H13A | 116.9° | 120.3° |
C12 | C13 | C14 | H14 | 55.6° | 162.0° |
C12 | C13 | C14 | H14A | 175.6° | 41.9° |
C13 | C14 | C15 | H14 | 120.0° | 120.3° |
C13 | C14 | C15 | H14A | 120.0° | 119.4° |
C13 | C14 | C15 | C16 | 143.0° | 149.7° |
C14 | C13 | C12 | H12 | 158.0° | 47.3° |
C14 | C13 | H13 | H13A | 116.8° | 119.7° |
C13 | C14 | H14 | H14A | 118.9° | 119.8° |
C13 | C14 | C15 | H15 | 97.0° | 30.0° |
C13 | C14 | C15 | H15A | 23.0° | 89.9° |
C14 | C15 | C16 | H15 | 120.0° | 119.7° |
C14 | C15 | C16 | H15A | 120.0° | 120.4° |
C14 | C15 | C16 | C17 | 157.0° | 150.6° |
C15 | C14 | C13 | H13 | 175.6° | 42.7° |
C15 | C14 | C13 | H13A | 55.6° | 162.5° |
C15 | C14 | H14 | H14A | 118.8° | 120.2° |
C14 | C15 | H15 | H15A | 118.4° | 120.1° |
C14 | C15 | C16 | H16 | 37.0° | 89.6° |
C14 | C15 | C16 | H16A | 83.0° | 30.4° |
C15 | C16 | C17 | H16 | 120.0° | 119.7° |
C15 | C16 | C17 | H16A | 120.0° | 120.3° |
C15 | C16 | C17 | O18 | 128.8° | 110.0° |
C15 | C16 | C17 | C19 | 54.0° | 70.0° |
C16 | C15 | C14 | H14 | 23.0° | 90.1° |
C16 | C15 | C14 | H14A | 96.9° | 30.3° |
C16 | C15 | H15 | H15A | 118.4° | 120.2° |
C15 | C16 | H16 | H16A | 118.3° | 120.2° |
C16 | C17 | O18 | C19 | 177.1° | 179.9° |
C16 | C17 | C19 | C20 | 135.7° | 118.8° |
C17 | C16 | C15 | H15 | 83.0° | 31.0° |
C17 | C16 | C15 | H15A | 37.0° | 89.0° |
C17 | C16 | H16 | H16A | 118.2° | 120.1° |
C16 | C17 | C19 | H19 | 104.3° | 121.0° |
C16 | C17 | C19 | H19A | 15.8° | 0.9° |
O18 | C17 | C19 | C20 | 41.5° | 61.1° |
O18 | C17 | C16 | H16 | 111.2° | 9.8° |
O18 | C17 | C16 | H16A | 8.8° | 129.7° |
O18 | C17 | C19 | H19 | 78.5° | 59.1° |
O18 | C17 | C19 | H19A | 161.5° | 179.2° |
C17 | C19 | C20 | H19 | 120.0° | 120.1° |
C17 | C19 | C20 | H19A | 120.0° | 119.8° |
C19 | C17 | C16 | H16 | 66.0° | 170.3° |
C19 | C17 | C16 | H16A | 174.0° | 50.3° |
C17 | C19 | H19 | H19A | 117.5° | 119.9° |
C17 | C19 | C20 | H20 | 63.3° | 56.8° |
C17 | C19 | C20 | H20A | 56.8° | 61.9° |
C20 | C19 | H19 | H19A | 117.5° | 120.0° |
C19 | C20 | H20 | H20A | 116.0° | 119.0° |
H1 | C1 | H1A | H1B | 120.0° | 120.1° |
H3 | C3 | C4 | H4 | 5.0° | 145.6° |
H4 | C4 | C5 | H5 | 67.4° | 179.5° |
H4 | C4 | C5 | H5A | 52.6° | 59.5° |
H4 | C4 | C5 | H5B | 172.6° | 60.5° |
H4 | C4 | C6 | H6 | 34.6° | 119.9° |
H5 | C5 | H5A | H5B | 119.9° | 120.0° |
H6 | C6 | O7 | HO7 | 67.4° | 60.7° |
H6 | C6 | C8 | H8 | 58.1° | 79.2° |
H8 | C8 | C11 | H11 | 60.9° | 76.5° |
H10 | C10 | H10A | H10B | 120.0° | 120.0° |
H11 | C11 | C12 | H12 | 175.9° | 178.5° |
H12 | C12 | C13 | H13 | 82.0° | 167.5° |
H12 | C12 | C13 | H13A | 38.0° | 72.4° |
H13 | C13 | C14 | H14 | 64.4° | 77.6° |
H13 | C13 | C14 | H14A | 55.6° | 162.3° |
H13A | C13 | C14 | H14 | 175.6° | 42.2° |
H13A | C13 | C14 | H14A | 64.5° | 78.0° |
H14 | C14 | C15 | H15 | 143.0° | 150.3° |
H14 | C14 | C15 | H15A | 97.0° | 30.4° |
H14A | C14 | C15 | H15 | 23.0° | 89.3° |
H14A | C14 | C15 | H15A | 143.1° | 150.7° |
H15 | C15 | C16 | H16 | 157.0° | 150.7° |
H15 | C15 | C16 | H16A | 37.0° | 89.3° |
H15A | C15 | C16 | H16 | 83.0° | 30.8° |
H15A | C15 | C16 | H16A | 157.0° | 150.8° |
H19 | C19 | C20 | H20 | 56.7° | 63.3° |
H19 | C19 | C20 | H20A | 176.8° | 178.0° |
H19A | C19 | C20 | H20 | 176.8° | 176.6° |
H19A | C19 | C20 | H20A | 63.2° | 57.8° |