F4P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
C16 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
C16 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
C17 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
C21 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
C21 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
C18 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
C20 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
C5 | N6 | sing | 1.33Å | 1.37Å | Aromatic |
C5 | N4 | doub | 1.31Å | 1.34Å | Aromatic |
C7 | N6 | doub | 1.31Å | 1.31Å | Aromatic |
C7 | N2 | sing | 1.35Å | 1.37Å | Aromatic |
C11 | C9 | sing | 1.51Å | 1.48Å | |
C8 | C9 | sing | 1.51Å | 1.48Å | |
C14 | F28 | sing | 1.35Å | 1.34Å | |
C19 | F27 | sing | 1.35Å | 1.34Å | |
C1 | N2 | sing | 1.35Å | 1.38Å | |
C1 | N24 | sing | 1.35Å | 1.38Å | |
C1 | O3 | doub | 1.21Å | 1.22Å | |
C23 | C22 | sing | 1.53Å | 1.51Å | |
C23 | N24 | sing | 1.47Å | 1.43Å | |
C25 | C26 | sing | 1.53Å | 1.51Å | |
C25 | N24 | sing | 1.47Å | 1.44Å | |
C22 | N10 | sing | 1.47Å | 1.48Å | |
C26 | N10 | sing | 1.47Å | 1.48Å | |
C9 | N10 | sing | 1.47Å | 1.48Å | |
N4 | N2 | sing | 1.40Å | 1.34Å | Aromatic |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C23 | H23A | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H25A | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C22 | H22A | sing | 1.09Å | 1.10Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H26A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C13 | C12 | C11 | 120.0° | 120.0° |
C12 | C13 | C14 | 119.6° | 120.0° |
C13 | C12 | H12 | 120.0° | 120.0° |
C12 | C13 | H13 | 120.2° | 120.0° |
C12 | C11 | C16 | 120.1° | 120.1° |
C12 | C11 | C9 | 119.0° | 120.0° |
C11 | C12 | H12 | 120.0° | 120.0° |
C15 | C16 | C11 | 120.1° | 120.0° |
C16 | C15 | C14 | 119.5° | 120.0° |
C15 | C16 | H16 | 119.9° | 120.0° |
C16 | C15 | H15 | 120.2° | 120.0° |
C16 | C11 | C9 | 120.8° | 120.0° |
C11 | C16 | H16 | 120.0° | 120.0° |
C18 | C17 | C8 | 120.1° | 120.0° |
C17 | C18 | C19 | 119.4° | 120.0° |
C18 | C17 | H17 | 120.0° | 120.0° |
C17 | C18 | H18 | 120.3° | 120.0° |
C17 | C8 | C21 | 120.2° | 120.1° |
C17 | C8 | C9 | 119.9° | 120.0° |
C8 | C17 | H17 | 120.0° | 120.0° |
C20 | C21 | C8 | 120.0° | 120.0° |
C21 | C20 | C19 | 119.6° | 120.0° |
C20 | C21 | H21 | 120.0° | 120.0° |
C21 | C20 | H20 | 120.2° | 120.0° |
C21 | C8 | C9 | 119.9° | 120.0° |
C8 | C21 | H21 | 120.0° | 120.0° |
C13 | C14 | C15 | 120.7° | 119.9° |
C13 | C14 | F28 | 120.0° | 120.0° |
C14 | C13 | H13 | 120.2° | 120.0° |
C15 | C14 | F28 | 119.4° | 120.0° |
C14 | C15 | H15 | 120.2° | 120.0° |
C18 | C19 | C20 | 120.8° | 119.9° |
C18 | C19 | F27 | 119.4° | 120.0° |
C19 | C18 | H18 | 120.3° | 120.0° |
C20 | C19 | F27 | 119.8° | 120.1° |
C19 | C20 | H20 | 120.2° | 120.0° |
N6 | C5 | N4 | 115.2° | 109.0° |
C5 | N6 | C7 | 102.8° | 109.9° |
N6 | C5 | H5 | 122.4° | 125.5° |
C5 | N4 | N2 | 101.3° | 106.8° |
N4 | C5 | H5 | 122.4° | 125.5° |
N6 | C7 | N2 | 109.5° | 107.9° |
N6 | C7 | H7 | 125.3° | 126.0° |
C7 | N2 | C1 | 127.7° | 126.8° |
C7 | N2 | N4 | 111.1° | 106.3° |
N2 | C7 | H7 | 125.3° | 126.1° |
C11 | C9 | C8 | 107.3° | 109.5° |
C11 | C9 | N10 | 111.0° | 109.5° |
C11 | C9 | H9 | 111.4° | 109.5° |
C8 | C9 | N10 | 113.5° | 109.5° |
C8 | C9 | H9 | 108.8° | 109.4° |
N2 | C1 | N24 | 110.6° | 120.0° |
N2 | C1 | O3 | 119.5° | 120.0° |
C1 | N2 | N4 | 121.1° | 126.9° |
N24 | C1 | O3 | 129.9° | 120.0° |
C1 | N24 | C23 | 117.5° | 120.9° |
C1 | N24 | C25 | 121.1° | 120.9° |
C22 | C23 | N24 | 108.7° | 108.5° |
C23 | C22 | N10 | 109.8° | 109.3° |
C22 | C23 | H23 | 109.7° | 109.6° |
C22 | C23 | H23A | 109.7° | 109.6° |
C23 | C22 | H22 | 109.4° | 109.5° |
C23 | C22 | H22A | 109.4° | 109.5° |
C23 | N24 | C25 | 114.1° | 118.2° |
N24 | C23 | H23 | 109.7° | 109.7° |
N24 | C23 | H23A | 109.7° | 109.6° |
C26 | C25 | N24 | 111.2° | 108.6° |
C25 | C26 | N10 | 109.3° | 109.3° |
C26 | C25 | H25 | 108.9° | 109.6° |
C26 | C25 | H25A | 108.9° | 109.6° |
C25 | C26 | H26 | 109.5° | 109.5° |
C25 | C26 | H26A | 109.5° | 109.5° |
N24 | C25 | H25 | 108.9° | 109.6° |
N24 | C25 | H25A | 108.9° | 109.6° |
C22 | N10 | C26 | 113.5° | 111.2° |
C22 | N10 | C9 | 108.2° | 111.0° |
N10 | C22 | H22 | 109.4° | 109.5° |
N10 | C22 | H22A | 109.4° | 109.5° |
C26 | N10 | C9 | 111.2° | 111.0° |
N10 | C26 | H26 | 109.5° | 109.5° |
N10 | C26 | H26A | 109.6° | 109.5° |
N10 | C9 | H9 | 104.9° | 109.5° |
H23 | C23 | H23A | 109.2° | 109.8° |
H25 | C25 | H25A | 110.0° | 109.8° |
H22 | C22 | H22A | 109.6° | 109.5° |
H26 | C26 | H26A | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C13 | C12 | C11 | H12 | 180.0° | 179.7° |
C13 | C12 | C11 | C16 | 0.7° | 0.0° |
C12 | C13 | C14 | H13 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 0.2° | 0.0° |
C13 | C12 | C11 | C9 | 179.6° | 180.0° |
C12 | C13 | C14 | F28 | 180.0° | 180.0° |
C12 | C11 | C16 | C15 | 0.4° | 0.1° |
C12 | C11 | C16 | C9 | 178.9° | 180.0° |
C11 | C12 | C13 | C14 | 0.6° | 0.0° |
C12 | C11 | C9 | C8 | 55.7° | 100.0° |
C12 | C11 | C9 | N10 | 68.8° | 140.0° |
C12 | C11 | C16 | H16 | 179.6° | 179.9° |
C11 | C12 | C13 | H13 | 179.4° | 180.0° |
C12 | C11 | C9 | H9 | 174.6° | 20.0° |
C15 | C16 | C11 | H16 | 180.0° | 179.9° |
C16 | C15 | C14 | C13 | 0.1° | 0.0° |
C16 | C15 | C14 | H15 | 180.0° | 179.9° |
C15 | C16 | C11 | C9 | 179.3° | 180.0° |
C16 | C15 | C14 | F28 | 179.7° | 180.0° |
C11 | C16 | C15 | C14 | 0.0° | 0.1° |
C16 | C11 | C9 | C8 | 123.2° | 80.0° |
C16 | C11 | C9 | N10 | 112.3° | 40.0° |
C16 | C11 | C12 | H12 | 179.4° | 179.7° |
C11 | C16 | C15 | H15 | 180.0° | 180.0° |
C16 | C11 | C9 | H9 | 4.2° | 160.0° |
C18 | C17 | C8 | H17 | 180.0° | 179.7° |
C18 | C17 | C8 | C21 | 0.9° | 0.0° |
C17 | C18 | C19 | H18 | 180.0° | 180.0° |
C17 | C18 | C19 | C20 | 0.1° | 0.0° |
C18 | C17 | C8 | C9 | 179.2° | 180.0° |
C17 | C18 | C19 | F27 | 179.5° | 180.0° |
C17 | C8 | C21 | C20 | 0.8° | 0.1° |
C17 | C8 | C21 | C9 | 178.3° | 179.9° |
C8 | C17 | C18 | C19 | 0.5° | 0.0° |
C17 | C8 | C9 | C11 | 94.6° | 100.0° |
C17 | C8 | C9 | N10 | 142.3° | 140.0° |
C17 | C8 | C21 | H21 | 179.2° | 180.0° |
C8 | C17 | C18 | H18 | 179.4° | 179.9° |
C17 | C8 | C9 | H9 | 26.0° | 20.0° |
C20 | C21 | C8 | H21 | 180.0° | 179.9° |
C21 | C20 | C19 | C18 | 0.0° | 0.0° |
C21 | C20 | C19 | H20 | 180.0° | 179.9° |
C20 | C21 | C8 | C9 | 179.1° | 180.0° |
C21 | C20 | C19 | F27 | 179.6° | 180.0° |
C8 | C21 | C20 | C19 | 0.4° | 0.0° |
C21 | C8 | C9 | C11 | 83.7° | 80.0° |
C21 | C8 | C9 | N10 | 39.3° | 40.1° |
C21 | C8 | C17 | H17 | 179.1° | 179.7° |
C8 | C21 | C20 | H20 | 179.6° | 179.9° |
C21 | C8 | C9 | H9 | 155.7° | 160.0° |
C13 | C14 | C15 | F28 | 179.9° | 180.0° |
C14 | C13 | C12 | H12 | 179.5° | 179.7° |
C13 | C14 | C15 | H15 | 179.9° | 179.9° |
C14 | C15 | C16 | H16 | 180.0° | 179.9° |
C15 | C14 | C13 | H13 | 179.8° | 180.0° |
C18 | C19 | C20 | F27 | 179.6° | 180.0° |
C19 | C18 | C17 | H17 | 179.5° | 179.7° |
C18 | C19 | C20 | H20 | 180.0° | 179.9° |
C19 | C20 | C21 | H21 | 179.6° | 180.0° |
C20 | C19 | C18 | H18 | 179.9° | 180.0° |
N6 | C5 | N4 | H5 | 180.0° | 179.8° |
C5 | N6 | C7 | N2 | 0.2° | 0.1° |
N6 | C5 | N4 | N2 | 0.4° | 0.0° |
C5 | N6 | C7 | H7 | 179.9° | 179.9° |
N4 | C5 | N6 | C7 | 0.2° | 0.1° |
C5 | N4 | N2 | C7 | 0.5° | 0.0° |
C5 | N4 | N2 | C1 | 179.9° | 179.9° |
N6 | C7 | N2 | H7 | 180.0° | 179.8° |
N6 | C7 | N2 | C1 | 180.0° | 180.0° |
N6 | C7 | N2 | N4 | 0.5° | 0.1° |
C7 | N6 | C5 | H5 | 179.8° | 179.8° |
C7 | N2 | C1 | N4 | 179.5° | 179.9° |
C7 | N2 | C1 | N24 | 23.3° | 173.3° |
C7 | N2 | C1 | O3 | 156.5° | 6.8° |
C11 | C9 | C8 | N10 | 123.0° | 120.0° |
C11 | C9 | C8 | H9 | 120.6° | 120.0° |
C11 | C9 | N10 | C22 | 56.3° | 180.0° |
C11 | C9 | N10 | C26 | 178.4° | 55.7° |
C11 | C9 | N10 | H9 | 120.4° | 120.0° |
C9 | C11 | C12 | H12 | 0.5° | 0.3° |
C9 | C11 | C16 | H16 | 0.7° | 0.1° |
C8 | C9 | N10 | C22 | 177.3° | 60.0° |
C8 | C9 | N10 | C26 | 57.4° | 175.7° |
C8 | C9 | N10 | H9 | 118.6° | 119.9° |
C9 | C8 | C17 | H17 | 0.8° | 0.2° |
C9 | C8 | C21 | H21 | 0.8° | 0.1° |
F28 | C14 | C13 | H13 | 0.0° | 0.0° |
F28 | C14 | C15 | H15 | 0.3° | 0.1° |
F27 | C19 | C18 | H18 | 0.5° | 0.0° |
F27 | C19 | C20 | H20 | 0.4° | 0.1° |
N2 | C1 | N24 | O3 | 179.8° | 179.9° |
N2 | C1 | N24 | C23 | 164.1° | 178.6° |
N2 | C1 | N24 | C25 | 47.5° | 1.4° |
C1 | N2 | C7 | H7 | 0.1° | 0.2° |
C1 | N24 | C23 | C22 | 149.4° | 128.8° |
C1 | N24 | C23 | C25 | 150.5° | 179.9° |
C1 | N24 | C25 | C26 | 152.4° | 128.8° |
N24 | C1 | N2 | N4 | 156.2° | 6.5° |
C1 | N24 | C23 | H23 | 29.4° | 9.1° |
C1 | N24 | C23 | H23A | 90.6° | 111.5° |
C1 | N24 | C25 | H25 | 87.5° | 111.5° |
C1 | N24 | C25 | H25A | 32.4° | 9.1° |
O3 | C1 | N24 | C23 | 15.7° | 1.5° |
O3 | C1 | N24 | C25 | 132.7° | 178.6° |
O3 | C1 | N2 | N4 | 24.0° | 173.4° |
C22 | C23 | N24 | H23 | 120.0° | 119.7° |
C22 | C23 | N24 | H23A | 120.0° | 119.7° |
C22 | C23 | N24 | C25 | 60.0° | 51.1° |
C23 | C22 | N10 | H22 | 120.0° | 120.0° |
C23 | C22 | N10 | H22A | 120.0° | 120.0° |
C23 | C22 | N10 | C26 | 55.6° | 63.1° |
C23 | C22 | N10 | C9 | 179.5° | 172.8° |
C22 | C23 | H23 | H23A | 120.3° | 120.4° |
C23 | C22 | H22 | H22A | 119.9° | 120.1° |
C23 | N24 | C25 | C26 | 58.2° | 51.2° |
N24 | C23 | C22 | N10 | 56.7° | 53.8° |
N24 | C23 | H23 | H23A | 120.3° | 120.5° |
C23 | N24 | C25 | H25 | 61.8° | 68.6° |
C23 | N24 | C25 | H25A | 178.2° | 170.9° |
N24 | C23 | C22 | H22 | 176.7° | 173.8° |
N24 | C23 | C22 | H22A | 63.3° | 66.1° |
C26 | C25 | N24 | H25 | 120.0° | 119.7° |
C26 | C25 | N24 | H25A | 120.0° | 119.7° |
C25 | C26 | N10 | C22 | 52.3° | 63.1° |
C25 | C26 | N10 | H26 | 120.0° | 120.0° |
C25 | C26 | N10 | H26A | 120.0° | 119.9° |
C25 | C26 | N10 | C9 | 174.6° | 172.7° |
C26 | C25 | H25 | H25A | 119.3° | 120.5° |
C25 | C26 | H26 | H26A | 120.0° | 120.0° |
N24 | C25 | C26 | N10 | 51.6° | 53.8° |
C25 | N24 | C23 | H23 | 180.0° | 170.8° |
C25 | N24 | C23 | H23A | 60.0° | 68.5° |
N24 | C25 | H25 | H25A | 119.3° | 120.4° |
N24 | C25 | C26 | H26 | 68.4° | 66.2° |
N24 | C25 | C26 | H26A | 171.6° | 173.8° |
C22 | N10 | C26 | C9 | 122.3° | 124.1° |
N10 | C22 | C23 | H23 | 176.7° | 173.5° |
N10 | C22 | C23 | H23A | 63.3° | 65.9° |
N10 | C22 | H22 | H22A | 119.9° | 120.0° |
C22 | N10 | C26 | H26 | 67.7° | 56.9° |
C22 | N10 | C26 | H26A | 172.3° | 176.9° |
C22 | N10 | C9 | H9 | 64.1° | 60.0° |
N10 | C26 | C25 | H25 | 68.4° | 65.9° |
N10 | C26 | C25 | H25A | 171.6° | 173.5° |
C26 | N10 | C22 | H22 | 175.5° | 176.9° |
C26 | N10 | C22 | H22A | 64.4° | 56.9° |
N10 | C26 | H26 | H26A | 120.1° | 120.1° |
C26 | N10 | C9 | H9 | 61.2° | 64.3° |
C9 | N10 | C22 | H22 | 60.5° | 52.8° |
C9 | N10 | C22 | H22A | 59.5° | 67.3° |
C9 | N10 | C26 | H26 | 54.6° | 67.3° |
C9 | N10 | C26 | H26A | 65.4° | 52.8° |
N2 | N4 | C5 | H5 | 179.5° | 179.8° |
N4 | N2 | C7 | H7 | 179.6° | 179.9° |
H12 | C12 | C13 | H13 | 0.5° | 0.3° |
H16 | C16 | C15 | H15 | 0.0° | 0.2° |
H17 | C17 | C18 | H18 | 0.6° | 0.3° |
H21 | C21 | C20 | H20 | 0.4° | 0.1° |
H23 | C23 | C22 | H22 | 63.3° | 66.5° |
H23 | C23 | C22 | H22A | 56.7° | 53.6° |
H23A | C23 | C22 | H22 | 56.7° | 54.1° |
H23A | C23 | C22 | H22A | 176.8° | 174.2° |
H25 | C25 | C26 | H26 | 171.6° | 174.1° |
H25 | C25 | C26 | H26A | 51.6° | 54.1° |
H25A | C25 | C26 | H26 | 51.6° | 53.5° |
H25A | C25 | C26 | H26A | 68.4° | 66.5° |