14L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
C7 | C20 | sing | 1.40Å | 1.44Å | Aromatic |
C5 | C22 | doub | 1.39Å | 1.44Å | Aromatic |
C20 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
C20 | C21 | sing | 1.41Å | 1.43Å | Aromatic |
C22 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
C22 | C23 | sing | 1.47Å | 1.42Å | Aromatic |
C8 | C9 | sing | 1.35Å | 1.40Å | Aromatic |
C4 | C23 | doub | 1.39Å | 1.46Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
C21 | C18 | doub | 1.41Å | 1.39Å | Aromatic |
C23 | C24 | sing | 1.41Å | 1.37Å | Aromatic |
C3 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
C9 | C17 | doub | 1.42Å | 1.41Å | Aromatic |
C18 | C17 | sing | 1.41Å | 1.39Å | Aromatic |
C18 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
C24 | C19 | sing | 1.48Å | 1.42Å | Aromatic |
C24 | C1 | doub | 1.39Å | 1.43Å | Aromatic |
C17 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
C19 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
C10 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
C15 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
C15 | C14 | sing | 1.51Å | 1.54Å | |
C16 | C11 | sing | 1.51Å | 1.59Å | |
C14 | C13 | sing | 1.53Å | 1.50Å | |
O11 | C11 | sing | 1.43Å | 1.41Å | |
C13 | O13 | sing | 1.43Å | 1.45Å | |
C13 | C12 | sing | 1.53Å | 1.48Å | |
C11 | C12 | sing | 1.52Å | 1.54Å | |
C12 | O12 | sing | 1.43Å | 1.39Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
O13 | HO13 | sing | 0.97Å | 0.95Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
O12 | HO12 | sing | 0.97Å | 0.95Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
O11 | HO11 | sing | 0.97Å | 0.95Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C7 | C6 | C5 | 123.5° | 121.0° |
C6 | C7 | C20 | 116.7° | 120.2° |
C6 | C7 | H7 | 121.6° | 119.9° |
C7 | C6 | H6 | 118.3° | 119.6° |
C6 | C5 | C22 | 118.7° | 120.3° |
C5 | C6 | H6 | 118.2° | 119.4° |
C6 | C5 | H5 | 120.6° | 119.5° |
C7 | C20 | C8 | 115.0° | 120.8° |
C7 | C20 | C21 | 119.8° | 119.3° |
C20 | C7 | H7 | 121.6° | 120.0° |
C5 | C22 | C21 | 117.5° | 119.6° |
C5 | C22 | C23 | 123.2° | 121.0° |
C22 | C5 | H5 | 120.7° | 120.1° |
C8 | C20 | C21 | 124.3° | 119.9° |
C20 | C8 | C9 | 114.1° | 120.5° |
C20 | C8 | H8 | 122.9° | 119.7° |
C20 | C21 | C22 | 122.2° | 119.6° |
C20 | C21 | C18 | 118.2° | 119.8° |
C21 | C22 | C23 | 119.3° | 119.4° |
C22 | C21 | C18 | 119.4° | 120.7° |
C22 | C23 | C4 | 117.9° | 120.1° |
C22 | C23 | C24 | 119.9° | 119.7° |
C8 | C9 | C17 | 123.6° | 120.8° |
C8 | C9 | H9 | 118.2° | 119.7° |
C9 | C8 | H8 | 122.9° | 119.8° |
C23 | C4 | C3 | 120.8° | 120.1° |
C4 | C23 | C24 | 122.1° | 120.2° |
C23 | C4 | H4 | 119.6° | 120.4° |
C4 | C3 | C2 | 118.5° | 119.9° |
C3 | C4 | H4 | 119.6° | 119.6° |
C4 | C3 | H3 | 120.8° | 120.0° |
C21 | C18 | C17 | 119.6° | 118.7° |
C21 | C18 | C19 | 120.8° | 121.3° |
C23 | C24 | C19 | 120.8° | 119.3° |
C23 | C24 | C1 | 114.6° | 118.0° |
C3 | C2 | C1 | 117.7° | 120.6° |
C2 | C3 | H3 | 120.8° | 120.1° |
C3 | C2 | H2 | 121.1° | 120.0° |
C9 | C17 | C18 | 119.8° | 120.2° |
C9 | C17 | C10 | 120.8° | 120.6° |
C17 | C9 | H9 | 118.2° | 119.5° |
C17 | C18 | C19 | 119.6° | 120.0° |
C18 | C17 | C10 | 118.6° | 119.2° |
C18 | C19 | C24 | 117.2° | 118.8° |
C18 | C19 | C15 | 118.9° | 118.7° |
C19 | C24 | C1 | 124.6° | 122.8° |
C24 | C19 | C15 | 123.7° | 122.5° |
C24 | C1 | C2 | 125.6° | 120.8° |
C24 | C1 | H1 | 117.2° | 121.8° |
C17 | C10 | C16 | 123.6° | 120.5° |
C17 | C10 | H10 | 118.2° | 119.7° |
C1 | C2 | H2 | 121.2° | 119.4° |
C2 | C1 | H1 | 117.2° | 117.4° |
C19 | C15 | C16 | 119.0° | 120.7° |
C19 | C15 | C14 | 120.5° | 119.5° |
C10 | C16 | C15 | 117.0° | 120.5° |
C10 | C16 | C11 | 124.7° | 116.6° |
C16 | C10 | H10 | 118.2° | 119.8° |
C16 | C15 | C14 | 119.9° | 119.7° |
C15 | C16 | C11 | 117.0° | 123.0° |
C15 | C14 | C13 | 116.7° | 111.2° |
C15 | C14 | H14 | 107.6° | 109.0° |
C15 | C14 | H15 | 107.6° | 109.3° |
C16 | C11 | O11 | 104.8° | 108.7° |
C16 | C11 | C12 | 119.3° | 113.4° |
C16 | C11 | H11 | 107.1° | 108.9° |
C14 | C13 | O13 | 109.2° | 110.2° |
C14 | C13 | C12 | 116.1° | 106.6° |
C13 | C14 | H14 | 107.6° | 108.0° |
C13 | C14 | H15 | 107.6° | 108.4° |
C14 | C13 | H13 | 106.6° | 109.4° |
O11 | C11 | C12 | 108.1° | 108.6° |
O11 | C11 | H11 | 109.4° | 108.2° |
C11 | O11 | HO11 | 109.5° | 114.0° |
O13 | C13 | C12 | 110.5° | 110.4° |
O13 | C13 | H13 | 107.2° | 110.2° |
C13 | O13 | HO13 | 109.5° | 114.0° |
C13 | C12 | C11 | 107.2° | 108.2° |
C13 | C12 | O12 | 110.4° | 109.8° |
C12 | C13 | H13 | 106.9° | 109.9° |
C13 | C12 | H12 | 107.4° | 109.5° |
C11 | C12 | O12 | 116.4° | 109.9° |
C11 | C12 | H12 | 106.6° | 109.9° |
C12 | C11 | H11 | 107.7° | 109.0° |
O12 | C12 | H12 | 108.6° | 109.5° |
C12 | O12 | HO12 | 109.5° | 113.9° |
H14 | C14 | H15 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C7 | C6 | C5 | H6 | 180.0° | 179.8° |
C6 | C7 | C20 | H7 | 180.0° | 179.6° |
C7 | C6 | C5 | C22 | 8.5° | 0.3° |
C6 | C7 | C20 | C8 | 177.6° | 179.4° |
C6 | C7 | C20 | C21 | 8.3° | 0.9° |
C7 | C6 | C5 | H5 | 171.5° | 179.8° |
C5 | C6 | C7 | C20 | 3.2° | 0.5° |
C6 | C5 | C22 | H5 | 180.0° | 180.0° |
C6 | C5 | C22 | C21 | 2.0° | 1.4° |
C6 | C5 | C22 | C23 | 179.8° | 177.4° |
C5 | C6 | C7 | H7 | 176.8° | 179.1° |
C7 | C20 | C8 | C21 | 168.8° | 179.7° |
C7 | C20 | C21 | C22 | 15.1° | 2.5° |
C7 | C20 | C8 | C9 | 165.2° | 177.2° |
C7 | C20 | C21 | C18 | 169.5° | 177.1° |
C7 | C20 | C8 | H8 | 14.8° | 3.2° |
C20 | C7 | C6 | H6 | 176.8° | 179.7° |
C5 | C22 | C21 | C20 | 9.5° | 2.8° |
C5 | C22 | C21 | C23 | 177.8° | 178.9° |
C5 | C22 | C23 | C4 | 5.1° | 0.7° |
C5 | C22 | C21 | C18 | 175.1° | 176.8° |
C5 | C22 | C23 | C24 | 178.1° | 179.7° |
C22 | C5 | C6 | H6 | 171.5° | 180.0° |
C8 | C20 | C21 | C22 | 176.7° | 177.8° |
C20 | C8 | C9 | H8 | 180.0° | 179.6° |
C8 | C20 | C21 | C18 | 1.2° | 2.6° |
C20 | C8 | C9 | C17 | 6.3° | 1.1° |
C20 | C8 | C9 | H9 | 173.7° | 179.6° |
C8 | C20 | C7 | H7 | 2.4° | 0.2° |
C20 | C21 | C22 | C18 | 175.4° | 179.6° |
C20 | C21 | C22 | C23 | 168.3° | 176.1° |
C21 | C20 | C8 | C9 | 3.6° | 2.5° |
C20 | C21 | C18 | C17 | 3.7° | 0.9° |
C20 | C21 | C18 | C19 | 178.7° | 179.4° |
C21 | C20 | C8 | H8 | 176.4° | 177.1° |
C21 | C20 | C7 | H7 | 171.7° | 179.5° |
C21 | C22 | C23 | C4 | 172.6° | 179.5° |
C21 | C22 | C23 | C24 | 4.2° | 0.9° |
C22 | C21 | C18 | C17 | 179.3° | 178.7° |
C22 | C21 | C18 | C19 | 3.1° | 0.2° |
C21 | C22 | C5 | H5 | 177.9° | 178.6° |
C22 | C23 | C4 | C24 | 176.7° | 179.6° |
C22 | C23 | C4 | C3 | 171.0° | 176.3° |
C23 | C22 | C21 | C18 | 7.1° | 4.3° |
C22 | C23 | C24 | C19 | 8.9° | 6.8° |
C22 | C23 | C24 | C1 | 168.3° | 172.8° |
C23 | C22 | C5 | H5 | 0.2° | 2.6° |
C22 | C23 | C4 | H4 | 9.0° | 3.7° |
C8 | C9 | C17 | H9 | 180.0° | 179.3° |
C8 | C9 | C17 | C18 | 4.1° | 4.7° |
C8 | C9 | C17 | C10 | 173.5° | 175.2° |
C23 | C4 | C3 | H4 | 180.0° | 180.0° |
C23 | C4 | C3 | C2 | 2.1° | 1.0° |
C4 | C23 | C24 | C19 | 174.5° | 172.8° |
C4 | C23 | C24 | C1 | 8.3° | 7.6° |
C23 | C4 | C3 | H3 | 177.9° | 179.2° |
C3 | C4 | C23 | C24 | 5.7° | 4.1° |
C4 | C3 | C2 | H3 | 180.0° | 179.8° |
C4 | C3 | C2 | C1 | 6.0° | 2.5° |
C4 | C3 | C2 | H2 | 174.0° | 177.6° |
C21 | C18 | C17 | C9 | 1.3° | 4.5° |
C21 | C18 | C17 | C19 | 177.6° | 178.5° |
C21 | C18 | C19 | C24 | 15.7° | 7.9° |
C21 | C18 | C17 | C10 | 168.3° | 175.4° |
C21 | C18 | C19 | C15 | 158.7° | 171.7° |
C23 | C24 | C19 | C18 | 18.7° | 11.2° |
C23 | C24 | C19 | C1 | 176.9° | 179.6° |
C23 | C24 | C1 | C2 | 4.2° | 6.0° |
C23 | C24 | C19 | C15 | 155.4° | 168.4° |
C24 | C23 | C4 | H4 | 174.3° | 175.9° |
C23 | C24 | C1 | H1 | 175.8° | 172.0° |
C3 | C2 | C1 | C24 | 3.1° | 1.1° |
C3 | C2 | C1 | H2 | 180.0° | 179.9° |
C2 | C3 | C4 | H4 | 177.9° | 179.0° |
C3 | C2 | C1 | H1 | 176.9° | 177.0° |
C9 | C17 | C18 | C10 | 169.6° | 179.9° |
C9 | C17 | C18 | C19 | 178.8° | 177.0° |
C9 | C17 | C10 | C16 | 172.2° | 179.2° |
C9 | C17 | C10 | H10 | 7.8° | 0.3° |
C17 | C9 | C8 | H8 | 173.7° | 179.3° |
C17 | C18 | C19 | C24 | 166.7° | 173.6° |
C17 | C18 | C19 | C15 | 18.9° | 6.8° |
C18 | C17 | C10 | C16 | 2.7° | 0.7° |
C18 | C17 | C10 | H10 | 177.3° | 179.7° |
C18 | C17 | C9 | H9 | 175.9° | 176.0° |
C18 | C19 | C24 | C15 | 174.1° | 179.6° |
C18 | C19 | C24 | C1 | 158.2° | 168.4° |
C19 | C18 | C17 | C10 | 9.3° | 3.1° |
C18 | C19 | C15 | C16 | 21.8° | 6.8° |
C18 | C19 | C15 | C14 | 149.0° | 170.3° |
C19 | C24 | C1 | C2 | 178.8° | 174.3° |
C24 | C19 | C15 | C16 | 164.2° | 173.6° |
C24 | C19 | C15 | C14 | 25.0° | 9.3° |
C19 | C24 | C1 | H1 | 1.2° | 7.7° |
C24 | C1 | C2 | H1 | 180.0° | 178.1° |
C1 | C24 | C19 | C15 | 27.7° | 12.0° |
C24 | C1 | C2 | H2 | 176.9° | 178.8° |
C17 | C10 | C16 | H10 | 180.0° | 179.0° |
C17 | C10 | C16 | C15 | 5.6° | 0.7° |
C17 | C10 | C16 | C11 | 171.7° | 178.4° |
C10 | C17 | C9 | H9 | 6.6° | 4.1° |
C1 | C2 | C3 | H3 | 174.0° | 177.7° |
C19 | C15 | C16 | C10 | 15.0° | 3.1° |
C19 | C15 | C16 | C14 | 170.9° | 177.1° |
C19 | C15 | C16 | C11 | 177.8° | 177.8° |
C19 | C15 | C14 | C13 | 167.1° | 155.4° |
C19 | C15 | C14 | H14 | 71.8° | 85.7° |
C19 | C15 | C14 | H15 | 46.1° | 35.7° |
C10 | C16 | C15 | C11 | 167.2° | 179.1° |
C10 | C16 | C15 | C14 | 155.9° | 174.0° |
C10 | C16 | C11 | O11 | 53.2° | 53.9° |
C10 | C16 | C11 | C12 | 174.4° | 174.8° |
C10 | C16 | C11 | H11 | 63.0° | 63.7° |
C16 | C15 | C14 | C13 | 3.6° | 21.8° |
C15 | C16 | C11 | O11 | 112.9° | 127.0° |
C15 | C16 | C11 | C12 | 8.3° | 6.1° |
C16 | C15 | C14 | H14 | 117.5° | 97.1° |
C16 | C15 | C14 | H15 | 124.6° | 141.4° |
C15 | C16 | C11 | H11 | 130.9° | 115.4° |
C15 | C16 | C10 | H10 | 174.4° | 179.7° |
C14 | C15 | C16 | C11 | 11.3° | 5.1° |
C15 | C14 | C13 | H14 | 121.1° | 119.5° |
C15 | C14 | C13 | H15 | 121.1° | 120.2° |
C15 | C14 | C13 | O13 | 166.6° | 61.7° |
C15 | C14 | C13 | C12 | 40.9° | 58.2° |
C15 | C14 | H14 | H15 | 116.7° | 120.4° |
C15 | C14 | C13 | H13 | 78.0° | 177.0° |
C16 | C11 | O11 | C12 | 128.3° | 123.7° |
C16 | C11 | O11 | H11 | 114.6° | 118.1° |
C16 | C11 | C12 | C13 | 40.9° | 43.0° |
C16 | C11 | C12 | H11 | 122.3° | 121.5° |
C16 | C11 | C12 | O12 | 83.1° | 162.8° |
C16 | C11 | C12 | H12 | 155.6° | 76.5° |
C16 | C11 | O11 | HO11 | 180.0° | 56.2° |
C11 | C16 | C10 | H10 | 8.3° | 0.5° |
C14 | C13 | O13 | C12 | 128.8° | 117.6° |
C14 | C13 | O13 | H13 | 115.1° | 120.9° |
C14 | C13 | C12 | H13 | 118.7° | 118.5° |
C14 | C13 | C12 | C11 | 56.7° | 69.3° |
C14 | C13 | C12 | O12 | 70.9° | 170.8° |
C13 | C14 | H14 | H15 | 116.7° | 118.6° |
C14 | C13 | O13 | HO13 | 180.0° | 60.0° |
C14 | C13 | C12 | H12 | 171.0° | 50.5° |
O11 | C11 | C12 | C13 | 78.7° | 163.9° |
O11 | C11 | C12 | H11 | 118.2° | 117.6° |
O11 | C11 | C12 | O12 | 157.3° | 76.2° |
O11 | C11 | C12 | H12 | 36.1° | 44.4° |
O13 | C13 | C12 | H13 | 116.3° | 121.7° |
O13 | C13 | C12 | C11 | 178.2° | 50.5° |
O13 | C13 | C12 | O12 | 54.1° | 69.5° |
O13 | C13 | C14 | H14 | 45.5° | 178.8° |
O13 | C13 | C14 | H15 | 72.4° | 58.5° |
O13 | C13 | C12 | H12 | 64.0° | 170.3° |
C13 | C12 | C11 | O12 | 124.0° | 119.9° |
C13 | C12 | C11 | H12 | 114.7° | 119.5° |
C13 | C12 | O12 | H12 | 117.4° | 120.3° |
C12 | C13 | C14 | H14 | 80.2° | 61.3° |
C12 | C13 | C14 | H15 | 161.9° | 178.4° |
C12 | C13 | O13 | HO13 | 51.2° | 177.6° |
C13 | C12 | O12 | HO12 | 180.0° | 180.0° |
C13 | C12 | C11 | H11 | 163.1° | 78.5° |
C11 | C12 | O12 | H12 | 120.2° | 120.9° |
C11 | C12 | C13 | H13 | 62.0° | 172.2° |
C11 | C12 | O12 | HO12 | 57.7° | 61.1° |
C12 | C11 | O11 | HO11 | 51.7° | 180.0° |
O12 | C12 | C13 | H13 | 170.4° | 52.3° |
O12 | C12 | C11 | H11 | 39.1° | 41.4° |
H14 | C14 | C13 | H13 | 160.9° | 57.5° |
H15 | C14 | C13 | H13 | 43.1° | 62.8° |
H13 | C13 | O13 | HO13 | 64.9° | 60.9° |
H13 | C13 | C12 | H12 | 52.2° | 68.0° |
H12 | C12 | O12 | HO12 | 62.5° | 59.8° |
H12 | C12 | C11 | H11 | 82.1° | 162.0° |
H11 | C11 | O11 | HO11 | 65.4° | 61.9° |
H9 | C9 | C8 | H8 | 6.3° | 0.0° |
H7 | C7 | C6 | H6 | 3.2° | 0.7° |
H6 | C6 | C5 | H5 | 8.5° | 0.0° |
H4 | C4 | C3 | H3 | 2.1° | 0.8° |
H3 | C3 | C2 | H2 | 6.0° | 2.2° |
H2 | C2 | C1 | H1 | 3.1° | 3.1° |