FN0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C7 | sing | 1.43Å | 1.37Å | |
O3 | C13 | doub | 1.21Å | 1.17Å | |
F3 | C17 | sing | 1.40Å | 1.35Å | |
F2 | C17 | sing | 1.40Å | 1.32Å | |
C7 | C13 | sing | 1.52Å | 1.53Å | |
C7 | C17 | sing | 1.53Å | 1.56Å | |
C7 | C5 | sing | 1.51Å | 1.52Å | |
C13 | O1 | sing | 1.34Å | 1.36Å | |
C17 | F1 | sing | 1.40Å | 1.30Å | |
C5 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
C9 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
C16 | C3 | sing | 1.53Å | 1.52Å | |
O1 | C6 | sing | 1.35Å | 1.39Å | |
C6 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.51Å | 1.52Å | |
C4 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
C3 | C14 | sing | 1.53Å | 1.52Å | |
C3 | C15 | sing | 1.53Å | 1.54Å | |
C2 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
C2 | C1 | sing | 1.51Å | 1.54Å | |
C11 | C1 | sing | 1.53Å | 1.52Å | |
C1 | C12 | sing | 1.53Å | 1.52Å | |
C1 | C10 | sing | 1.53Å | 1.53Å | |
O2 | H1 | sing | 0.97Å | 0.95Å | |
C8 | H2 | sing | 1.08Å | 1.08Å | |
C9 | H3 | sing | 1.08Å | 1.08Å | |
C10 | H4 | sing | 1.09Å | 1.10Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
C11 | H7 | sing | 1.09Å | 1.10Å | |
C11 | H8 | sing | 1.09Å | 1.10Å | |
C11 | H9 | sing | 1.09Å | 1.10Å | |
C12 | H10 | sing | 1.09Å | 1.10Å | |
C12 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C14 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H16 | sing | 1.09Å | 1.10Å | |
C15 | H17 | sing | 1.09Å | 1.10Å | |
C15 | H18 | sing | 1.09Å | 1.10Å | |
C16 | H19 | sing | 1.09Å | 1.10Å | |
C16 | H20 | sing | 1.09Å | 1.10Å | |
C16 | H21 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C7 | C13 | 118.3° | 110.6° |
O2 | C7 | C17 | 108.7° | 110.6° |
O2 | C7 | C5 | 108.2° | 110.6° |
C7 | O2 | H1 | 109.5° | 114.0° |
O3 | C13 | C7 | 127.8° | 126.6° |
O3 | C13 | O1 | 120.2° | 126.6° |
F3 | C17 | F2 | 104.1° | 109.5° |
F3 | C17 | C7 | 114.4° | 109.5° |
F3 | C17 | F1 | 106.3° | 109.5° |
F2 | C17 | C7 | 113.1° | 109.5° |
F2 | C17 | F1 | 106.9° | 109.4° |
C13 | C7 | C17 | 101.6° | 110.7° |
C13 | C7 | C5 | 98.1° | 103.3° |
C7 | C13 | O1 | 108.3° | 106.8° |
C17 | C7 | C5 | 122.3° | 110.8° |
C7 | C17 | F1 | 111.5° | 109.5° |
C7 | C5 | C9 | 130.9° | 132.9° |
C7 | C5 | C6 | 108.1° | 106.0° |
C13 | O1 | C6 | 107.3° | 113.2° |
C9 | C5 | C6 | 121.1° | 121.0° |
C5 | C9 | C4 | 118.9° | 119.8° |
C5 | C9 | H3 | 120.6° | 120.1° |
C5 | C6 | O1 | 109.4° | 110.8° |
C5 | C6 | C2 | 123.6° | 118.8° |
C9 | C4 | C3 | 118.9° | 120.1° |
C9 | C4 | C8 | 117.9° | 119.7° |
C4 | C9 | H3 | 120.5° | 120.1° |
C16 | C3 | C4 | 113.0° | 109.5° |
C16 | C3 | C14 | 106.7° | 109.4° |
C16 | C3 | C15 | 104.9° | 109.5° |
C3 | C16 | H19 | 109.5° | 109.5° |
C3 | C16 | H20 | 109.5° | 109.4° |
C3 | C16 | H21 | 109.5° | 109.5° |
O1 | C6 | C2 | 126.9° | 130.5° |
C6 | C2 | C8 | 113.0° | 120.2° |
C6 | C2 | C1 | 126.7° | 119.9° |
C3 | C4 | C8 | 123.2° | 120.2° |
C4 | C3 | C14 | 111.7° | 109.5° |
C4 | C3 | C15 | 113.7° | 109.5° |
C4 | C8 | C2 | 125.5° | 120.4° |
C4 | C8 | H2 | 117.3° | 119.7° |
C14 | C3 | C15 | 106.2° | 109.4° |
C3 | C14 | H13 | 109.5° | 109.5° |
C3 | C14 | H14 | 109.5° | 109.5° |
C3 | C14 | H15 | 109.5° | 109.5° |
C3 | C15 | H16 | 109.5° | 109.5° |
C3 | C15 | H17 | 109.5° | 109.5° |
C3 | C15 | H18 | 109.5° | 109.5° |
C8 | C2 | C1 | 120.3° | 119.9° |
C2 | C8 | H2 | 117.3° | 119.8° |
C2 | C1 | C11 | 114.0° | 109.5° |
C2 | C1 | C12 | 112.5° | 109.4° |
C2 | C1 | C10 | 112.4° | 109.5° |
C11 | C1 | C12 | 105.5° | 109.4° |
C11 | C1 | C10 | 105.9° | 109.5° |
C1 | C11 | H7 | 109.5° | 109.5° |
C1 | C11 | H8 | 109.5° | 109.4° |
C1 | C11 | H9 | 109.5° | 109.5° |
C12 | C1 | C10 | 105.9° | 109.5° |
C1 | C12 | H10 | 109.5° | 109.5° |
C1 | C12 | H11 | 109.5° | 109.5° |
C1 | C12 | H12 | 109.4° | 109.4° |
C1 | C10 | H4 | 109.5° | 109.5° |
C1 | C10 | H5 | 109.5° | 109.5° |
C1 | C10 | H6 | 109.5° | 109.5° |
H4 | C10 | H5 | 109.5° | 109.5° |
H4 | C10 | H6 | 109.5° | 109.4° |
H5 | C10 | H6 | 109.4° | 109.5° |
H7 | C11 | H8 | 109.5° | 109.5° |
H7 | C11 | H9 | 109.4° | 109.5° |
H8 | C11 | H9 | 109.5° | 109.4° |
H10 | C12 | H11 | 109.5° | 109.5° |
H10 | C12 | H12 | 109.5° | 109.4° |
H11 | C12 | H12 | 109.5° | 109.5° |
H13 | C14 | H14 | 109.5° | 109.4° |
H13 | C14 | H15 | 109.5° | 109.5° |
H14 | C14 | H15 | 109.5° | 109.5° |
H16 | C15 | H17 | 109.5° | 109.4° |
H16 | C15 | H18 | 109.4° | 109.5° |
H17 | C15 | H18 | 109.5° | 109.5° |
H19 | C16 | H20 | 109.4° | 109.5° |
H19 | C16 | H21 | 109.5° | 109.5° |
H20 | C16 | H21 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C7 | C13 | O3 | 14.3° | 61.6° |
O2 | C7 | C17 | F3 | 31.0° | 59.3° |
O2 | C7 | C17 | F2 | 87.9° | 179.3° |
O2 | C7 | C13 | C17 | 118.8° | 123.0° |
O2 | C7 | C13 | C5 | 115.8° | 118.4° |
O2 | C7 | C17 | C5 | 127.2° | 123.1° |
O2 | C7 | C13 | O1 | 143.7° | 118.4° |
O2 | C7 | C17 | F1 | 151.7° | 60.7° |
O2 | C7 | C5 | C9 | 40.2° | 61.6° |
O2 | C7 | C5 | C6 | 139.4° | 118.4° |
O3 | C13 | C7 | O1 | 157.9° | 180.0° |
O3 | C13 | C7 | C17 | 104.5° | 61.4° |
O3 | C13 | C7 | C5 | 130.0° | 180.0° |
O3 | C13 | O1 | C6 | 129.9° | 180.0° |
F3 | C17 | F2 | C7 | 124.7° | 120.0° |
F3 | C17 | F2 | F1 | 112.2° | 120.0° |
F3 | C17 | C7 | C13 | 156.5° | 63.7° |
F3 | C17 | C7 | F1 | 120.6° | 120.0° |
F3 | C17 | C7 | C5 | 96.1° | 177.6° |
F2 | C17 | C7 | C13 | 37.5° | 56.3° |
F2 | C17 | C7 | F1 | 120.5° | 120.0° |
F2 | C17 | C7 | C5 | 144.9° | 57.6° |
C13 | C7 | C17 | C5 | 107.4° | 113.9° |
C13 | C7 | C17 | F1 | 82.9° | 176.3° |
C13 | C7 | C5 | C9 | 163.5° | 180.0° |
C13 | C7 | C5 | C6 | 16.1° | 0.0° |
C7 | C13 | O1 | C6 | 30.1° | 0.0° |
C13 | C7 | O2 | H1 | 5.4° | 61.5° |
C17 | C7 | C13 | O1 | 97.5° | 118.6° |
C17 | C7 | C5 | C9 | 87.2° | 61.4° |
C17 | C7 | C5 | C6 | 93.2° | 118.5° |
C17 | C7 | O2 | H1 | 109.6° | 61.5° |
C5 | C7 | C13 | O1 | 27.9° | 0.0° |
C5 | C7 | C17 | F1 | 24.5° | 62.4° |
C7 | C5 | C9 | C6 | 179.6° | 179.9° |
C7 | C5 | C9 | C4 | 179.8° | 180.0° |
C7 | C5 | C6 | O1 | 0.0° | 0.0° |
C7 | C5 | C6 | C2 | 179.6° | 180.0° |
C5 | C7 | O2 | H1 | 115.6° | 175.3° |
C7 | C5 | C9 | H3 | 0.2° | 0.1° |
C13 | O1 | C6 | C5 | 18.8° | 0.0° |
C13 | O1 | C6 | C2 | 160.7° | 180.0° |
C5 | C9 | C4 | H3 | 180.0° | 179.9° |
C9 | C5 | C6 | O1 | 179.7° | 180.0° |
C9 | C5 | C6 | C2 | 0.1° | 0.0° |
C5 | C9 | C4 | C3 | 179.9° | 180.0° |
C5 | C9 | C4 | C8 | 0.3° | 0.1° |
C6 | C5 | C9 | C4 | 0.3° | 0.0° |
C5 | C6 | O1 | C2 | 179.6° | 180.0° |
C5 | C6 | C2 | C8 | 0.3° | 0.1° |
C5 | C6 | C2 | C1 | 179.7° | 180.0° |
C6 | C5 | C9 | H3 | 179.7° | 180.0° |
C9 | C4 | C3 | C16 | 59.8° | 120.0° |
C9 | C4 | C3 | C8 | 179.7° | 179.9° |
C9 | C4 | C3 | C14 | 60.6° | 120.0° |
C9 | C4 | C3 | C15 | 179.2° | 0.0° |
C9 | C4 | C8 | C2 | 0.1° | 0.1° |
C9 | C4 | C8 | H2 | 179.9° | 180.0° |
C16 | C3 | C4 | C14 | 120.4° | 120.0° |
C16 | C3 | C4 | C15 | 119.4° | 120.0° |
C16 | C3 | C4 | C8 | 119.9° | 60.0° |
C16 | C3 | C14 | C15 | 111.5° | 120.0° |
C16 | C3 | C14 | H13 | 180.0° | 60.0° |
C16 | C3 | C14 | H14 | 60.0° | 60.0° |
C16 | C3 | C14 | H15 | 60.0° | 180.0° |
C16 | C3 | C15 | H16 | 180.0° | 180.0° |
C16 | C3 | C15 | H17 | 60.0° | 60.0° |
C16 | C3 | C15 | H18 | 60.0° | 60.0° |
C3 | C16 | H19 | H20 | 120.0° | 120.0° |
C3 | C16 | H19 | H21 | 120.0° | 120.0° |
C3 | C16 | H20 | H21 | 120.0° | 120.0° |
O1 | C6 | C2 | C8 | 179.8° | 179.9° |
O1 | C6 | C2 | C1 | 0.8° | 0.0° |
C6 | C2 | C8 | C4 | 0.2° | 0.1° |
C6 | C2 | C8 | C1 | 179.4° | 179.9° |
C6 | C2 | C1 | C11 | 43.6° | 60.0° |
C6 | C2 | C1 | C12 | 163.8° | 180.0° |
C6 | C2 | C1 | C10 | 76.8° | 60.0° |
C6 | C2 | C8 | H2 | 179.8° | 180.0° |
C4 | C3 | C14 | C15 | 124.5° | 120.0° |
C3 | C4 | C8 | C2 | 179.8° | 179.9° |
C3 | C4 | C8 | H2 | 0.1° | 0.1° |
C3 | C4 | C9 | H3 | 0.1° | 0.0° |
C4 | C3 | C14 | H13 | 56.0° | 179.9° |
C4 | C3 | C14 | H14 | 64.0° | 60.0° |
C4 | C3 | C14 | H15 | 176.1° | 60.0° |
C4 | C3 | C15 | H16 | 56.1° | 60.0° |
C4 | C3 | C15 | H17 | 176.1° | 60.0° |
C4 | C3 | C15 | H18 | 63.9° | 180.0° |
C4 | C3 | C16 | H19 | 180.0° | 180.0° |
C4 | C3 | C16 | H20 | 60.0° | 60.0° |
C4 | C3 | C16 | H21 | 60.0° | 60.0° |
C8 | C4 | C3 | C14 | 119.7° | 59.9° |
C8 | C4 | C3 | C15 | 0.5° | 179.9° |
C4 | C8 | C2 | H2 | 180.0° | 179.9° |
C4 | C8 | C2 | C1 | 179.7° | 179.9° |
C8 | C4 | C9 | H3 | 179.7° | 180.0° |
C3 | C14 | H13 | H14 | 120.0° | 120.0° |
C3 | C14 | H13 | H15 | 120.0° | 120.0° |
C3 | C14 | H14 | H15 | 120.0° | 120.0° |
C14 | C3 | C15 | H16 | 67.2° | 60.0° |
C14 | C3 | C15 | H17 | 52.8° | 180.0° |
C14 | C3 | C15 | H18 | 172.8° | 60.0° |
C14 | C3 | C16 | H19 | 56.8° | 60.0° |
C14 | C3 | C16 | H20 | 63.2° | 180.0° |
C14 | C3 | C16 | H21 | 176.8° | 60.0° |
C15 | C3 | C14 | H13 | 68.5° | 60.0° |
C15 | C3 | C14 | H14 | 171.5° | 180.0° |
C15 | C3 | C14 | H15 | 51.5° | 60.0° |
C3 | C15 | H16 | H17 | 120.0° | 120.0° |
C3 | C15 | H16 | H18 | 120.0° | 120.1° |
C3 | C15 | H17 | H18 | 120.0° | 120.0° |
C15 | C3 | C16 | H19 | 55.7° | 59.9° |
C15 | C3 | C16 | H20 | 175.6° | 60.0° |
C15 | C3 | C16 | H21 | 64.4° | 180.0° |
C8 | C2 | C1 | C11 | 137.0° | 119.9° |
C8 | C2 | C1 | C12 | 16.9° | 0.0° |
C8 | C2 | C1 | C10 | 102.5° | 120.0° |
C2 | C1 | C11 | C12 | 124.0° | 119.9° |
C2 | C1 | C11 | C10 | 124.1° | 120.0° |
C2 | C1 | C12 | C10 | 123.2° | 120.0° |
C1 | C2 | C8 | H2 | 0.4° | 0.1° |
C2 | C1 | C10 | H4 | 180.0° | 60.0° |
C2 | C1 | C10 | H5 | 60.0° | 60.0° |
C2 | C1 | C10 | H6 | 60.0° | 180.0° |
C2 | C1 | C11 | H7 | 180.0° | 180.0° |
C2 | C1 | C11 | H8 | 60.0° | 60.0° |
C2 | C1 | C11 | H9 | 60.0° | 60.0° |
C2 | C1 | C12 | H10 | 180.0° | 180.0° |
C2 | C1 | C12 | H11 | 60.0° | 60.0° |
C2 | C1 | C12 | H12 | 60.0° | 60.0° |
C11 | C1 | C12 | C10 | 112.0° | 120.0° |
C11 | C1 | C10 | H4 | 55.0° | 179.9° |
C11 | C1 | C10 | H5 | 65.1° | 60.0° |
C11 | C1 | C10 | H6 | 175.0° | 60.0° |
C1 | C11 | H7 | H8 | 120.0° | 120.0° |
C1 | C11 | H7 | H9 | 120.0° | 120.0° |
C1 | C11 | H8 | H9 | 120.0° | 120.0° |
C11 | C1 | C12 | H10 | 55.1° | 60.1° |
C11 | C1 | C12 | H11 | 175.1° | 60.0° |
C11 | C1 | C12 | H12 | 64.8° | 180.0° |
C12 | C1 | C10 | H4 | 56.8° | 60.0° |
C12 | C1 | C10 | H5 | 176.8° | 180.0° |
C12 | C1 | C10 | H6 | 63.2° | 60.0° |
C12 | C1 | C11 | H7 | 56.1° | 60.0° |
C12 | C1 | C11 | H8 | 64.0° | 179.9° |
C12 | C1 | C11 | H9 | 176.0° | 60.0° |
C1 | C12 | H10 | H11 | 120.0° | 120.0° |
C1 | C12 | H10 | H12 | 120.0° | 119.9° |
C1 | C12 | H11 | H12 | 120.0° | 120.0° |
C1 | C10 | H4 | H5 | 120.0° | 120.0° |
C1 | C10 | H4 | H6 | 120.0° | 120.0° |
C1 | C10 | H5 | H6 | 120.0° | 120.1° |
C10 | C1 | C11 | H7 | 55.9° | 60.0° |
C10 | C1 | C11 | H8 | 175.9° | 60.1° |
C10 | C1 | C11 | H9 | 64.0° | 180.0° |
C10 | C1 | C12 | H10 | 56.9° | 59.9° |
C10 | C1 | C12 | H11 | 63.1° | 180.0° |
C10 | C1 | C12 | H12 | 176.8° | 60.0° |
H4 | C10 | H5 | H6 | 120.0° | 119.9° |
H7 | C11 | H8 | H9 | 120.0° | 120.0° |
H10 | C12 | H11 | H12 | 120.0° | 120.0° |
H13 | C14 | H14 | H15 | 120.0° | 120.0° |
H16 | C15 | H17 | H18 | 120.0° | 120.0° |
H19 | C16 | H20 | H21 | 120.0° | 120.0° |