LFZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F3 | C14 | sing | 1.40Å | 1.30Å | |
F5 | C14 | sing | 1.40Å | 1.30Å | |
F4 | C14 | sing | 1.40Å | 1.31Å | |
C14 | C13 | sing | 1.51Å | 1.48Å | |
C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C13 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
C15 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
C10 | C11 | sing | 1.51Å | 1.49Å | |
C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
F | C11 | sing | 1.40Å | 1.32Å | |
F2 | C11 | sing | 1.40Å | 1.30Å | |
C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
C8 | C7 | sing | 1.48Å | 1.49Å | |
C4 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C11 | F1 | sing | 1.40Å | 1.33Å | |
C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
O | C | doub | 1.21Å | 1.23Å | |
C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.51Å | 1.52Å | |
C | O1 | sing | 1.34Å | 1.33Å | |
C | C1 | sing | 1.51Å | 1.51Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C12 | H4 | sing | 1.08Å | 1.08Å | |
C9 | H5 | sing | 1.08Å | 1.08Å | |
C15 | H6 | sing | 1.08Å | 1.08Å | |
C3 | H7 | sing | 1.08Å | 1.08Å | |
C1 | H8 | sing | 1.09Å | 1.10Å | |
C1 | H9 | sing | 1.09Å | 1.10Å | |
O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F3 | C14 | F5 | 104.9° | 109.5° |
F3 | C14 | F4 | 107.3° | 109.5° |
F3 | C14 | C13 | 112.3° | 109.5° |
F5 | C14 | F4 | 106.8° | 109.5° |
F5 | C14 | C13 | 112.4° | 109.5° |
F4 | C14 | C13 | 112.6° | 109.4° |
C14 | C13 | C12 | 119.4° | 119.9° |
C14 | C13 | C15 | 120.1° | 119.9° |
C12 | C13 | C15 | 120.5° | 120.1° |
C13 | C12 | C10 | 119.6° | 120.2° |
C13 | C12 | H4 | 120.2° | 119.9° |
C13 | C15 | C8 | 120.8° | 119.9° |
C13 | C15 | H6 | 119.6° | 120.1° |
C12 | C10 | C11 | 119.3° | 119.9° |
C12 | C10 | C9 | 120.1° | 120.1° |
C10 | C12 | H4 | 120.2° | 119.9° |
C15 | C8 | C9 | 118.1° | 119.7° |
C15 | C8 | C7 | 120.6° | 120.1° |
C8 | C15 | H6 | 119.6° | 120.0° |
C11 | C10 | C9 | 120.3° | 119.9° |
C10 | C11 | F | 112.5° | 109.5° |
C10 | C11 | F2 | 112.3° | 109.5° |
C10 | C11 | F1 | 113.2° | 109.5° |
C10 | C9 | C8 | 120.8° | 119.9° |
C10 | C9 | H5 | 119.6° | 120.1° |
F | C11 | F2 | 104.6° | 109.5° |
F | C11 | F1 | 106.6° | 109.5° |
F2 | C11 | F1 | 107.1° | 109.5° |
C9 | C8 | C7 | 121.2° | 120.1° |
C8 | C9 | H5 | 119.6° | 120.0° |
C8 | C7 | C4 | 121.1° | 120.1° |
C8 | C7 | C6 | 121.4° | 120.1° |
C7 | C4 | C3 | 121.2° | 119.8° |
C4 | C7 | C6 | 117.5° | 119.8° |
C7 | C4 | H1 | 119.4° | 120.1° |
C4 | C3 | C2 | 121.0° | 120.1° |
C3 | C4 | H1 | 119.4° | 120.1° |
C4 | C3 | H7 | 119.5° | 119.9° |
C7 | C6 | C5 | 121.2° | 119.9° |
C7 | C6 | H3 | 119.4° | 120.0° |
C3 | C2 | C5 | 118.1° | 120.2° |
C3 | C2 | C1 | 121.0° | 119.9° |
C2 | C3 | H7 | 119.5° | 119.9° |
O | C | O1 | 123.4° | 120.0° |
O | C | C1 | 123.3° | 120.0° |
C6 | C5 | C2 | 121.0° | 120.1° |
C6 | C5 | H2 | 119.5° | 119.9° |
C5 | C6 | H3 | 119.4° | 120.1° |
C5 | C2 | C1 | 120.8° | 119.9° |
C2 | C5 | H2 | 119.5° | 119.9° |
C2 | C1 | C | 116.6° | 109.5° |
C2 | C1 | H8 | 107.7° | 109.5° |
C2 | C1 | H9 | 107.7° | 109.5° |
O1 | C | C1 | 113.3° | 120.0° |
C | O1 | H10 | 109.5° | 117.0° |
C | C1 | H8 | 107.7° | 109.5° |
C | C1 | H9 | 107.7° | 109.5° |
H8 | C1 | H9 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F3 | C14 | F5 | F4 | 113.7° | 120.0° |
F3 | C14 | F5 | C13 | 122.3° | 120.1° |
F3 | C14 | F4 | C13 | 124.1° | 120.0° |
F3 | C14 | C13 | C12 | 74.8° | 120.0° |
F3 | C14 | C13 | C15 | 105.6° | 59.7° |
F5 | C14 | F4 | C13 | 123.9° | 120.0° |
F5 | C14 | C13 | C12 | 43.2° | 0.1° |
F5 | C14 | C13 | C15 | 136.4° | 179.7° |
F4 | C14 | C13 | C12 | 163.9° | 120.0° |
F4 | C14 | C13 | C15 | 15.7° | 60.3° |
C14 | C13 | C12 | C15 | 179.6° | 179.6° |
C14 | C13 | C12 | C10 | 178.9° | 180.0° |
C14 | C13 | C15 | C8 | 178.9° | 179.7° |
C14 | C13 | C12 | H4 | 1.1° | 0.1° |
C14 | C13 | C15 | H6 | 1.1° | 0.1° |
C13 | C12 | C10 | H4 | 180.0° | 180.0° |
C12 | C13 | C15 | C8 | 0.7° | 0.6° |
C13 | C12 | C10 | C11 | 172.7° | 179.9° |
C13 | C12 | C10 | C9 | 1.1° | 0.0° |
C12 | C13 | C15 | H6 | 179.3° | 179.7° |
C15 | C13 | C12 | C10 | 0.7° | 0.3° |
C13 | C15 | C8 | H6 | 180.0° | 179.7° |
C13 | C15 | C8 | C9 | 1.1° | 0.6° |
C13 | C15 | C8 | C7 | 175.1° | 179.9° |
C15 | C13 | C12 | H4 | 179.3° | 179.7° |
C12 | C10 | C11 | C9 | 173.8° | 179.9° |
C12 | C10 | C11 | F | 70.0° | 120.0° |
C12 | C10 | C11 | F2 | 47.6° | 120.0° |
C12 | C10 | C9 | C8 | 3.0° | 0.0° |
C12 | C10 | C11 | F1 | 169.1° | 0.0° |
C12 | C10 | C9 | H5 | 177.0° | 180.0° |
C15 | C8 | C9 | C10 | 2.9° | 0.2° |
C15 | C8 | C9 | C7 | 176.2° | 179.5° |
C15 | C8 | C7 | C4 | 38.0° | 180.0° |
C15 | C8 | C7 | C6 | 138.8° | 0.3° |
C15 | C8 | C9 | H5 | 177.1° | 179.7° |
C10 | C11 | F | F2 | 122.1° | 120.0° |
C10 | C11 | F | F1 | 124.6° | 120.0° |
C10 | C11 | F2 | F1 | 124.9° | 120.0° |
C11 | C10 | C9 | C8 | 170.8° | 180.0° |
C11 | C10 | C12 | H4 | 7.2° | 0.0° |
C11 | C10 | C9 | H5 | 9.2° | 0.1° |
C9 | C10 | C11 | F | 103.8° | 60.0° |
C9 | C10 | C11 | F2 | 138.5° | 59.9° |
C10 | C9 | C8 | H5 | 180.0° | 179.9° |
C10 | C9 | C8 | C7 | 173.2° | 179.7° |
C9 | C10 | C11 | F1 | 17.1° | 179.9° |
C9 | C10 | C12 | H4 | 178.9° | 180.0° |
F | C11 | F2 | F1 | 112.9° | 120.0° |
C9 | C8 | C7 | C4 | 138.1° | 0.5° |
C9 | C8 | C7 | C6 | 45.1° | 179.8° |
C9 | C8 | C15 | H6 | 178.9° | 179.7° |
C8 | C7 | C4 | C6 | 176.9° | 179.7° |
C8 | C7 | C4 | C3 | 175.7° | 180.0° |
C8 | C7 | C6 | C5 | 176.0° | 179.8° |
C8 | C7 | C4 | H1 | 4.3° | 0.0° |
C8 | C7 | C6 | H3 | 4.0° | 0.3° |
C7 | C8 | C9 | H5 | 6.8° | 0.2° |
C7 | C8 | C15 | H6 | 4.9° | 0.3° |
C7 | C4 | C3 | H1 | 180.0° | 179.9° |
C7 | C4 | C3 | C2 | 0.9° | 0.6° |
C4 | C7 | C6 | C5 | 0.9° | 0.1° |
C4 | C7 | C6 | H3 | 179.1° | 180.0° |
C7 | C4 | C3 | H7 | 179.1° | 180.0° |
C3 | C4 | C7 | C6 | 1.2° | 0.3° |
C4 | C3 | C2 | H7 | 180.0° | 179.4° |
C4 | C3 | C2 | C5 | 0.3° | 0.6° |
C4 | C3 | C2 | C1 | 177.2° | 179.7° |
C7 | C6 | C5 | H3 | 180.0° | 179.9° |
C7 | C6 | C5 | C2 | 0.3° | 0.1° |
C6 | C7 | C4 | H1 | 178.8° | 179.7° |
C7 | C6 | C5 | H2 | 179.7° | 180.0° |
C3 | C2 | C5 | C6 | 0.1° | 0.3° |
C3 | C2 | C5 | C1 | 177.4° | 179.7° |
C3 | C2 | C1 | C | 42.8° | 90.3° |
C2 | C3 | C4 | H1 | 179.1° | 179.4° |
C3 | C2 | C5 | H2 | 179.9° | 179.7° |
C3 | C2 | C1 | H8 | 163.9° | 29.7° |
C3 | C2 | C1 | H9 | 78.2° | 149.7° |
O | C | C1 | C2 | 81.2° | 0.0° |
O | C | O1 | C1 | 177.4° | 180.0° |
O | C | C1 | H8 | 157.7° | 120.0° |
O | C | C1 | H9 | 39.8° | 120.0° |
O | C | O1 | H10 | 0.0° | 0.0° |
C6 | C5 | C2 | H2 | 180.0° | 179.9° |
C6 | C5 | C2 | C1 | 177.5° | 180.0° |
C5 | C2 | C1 | C | 139.8° | 90.0° |
C2 | C5 | C6 | H3 | 179.7° | 180.0° |
C5 | C2 | C3 | H7 | 179.8° | 180.0° |
C5 | C2 | C1 | H8 | 18.8° | 149.9° |
C5 | C2 | C1 | H9 | 99.2° | 30.0° |
C2 | C1 | C | O1 | 101.4° | 180.0° |
C2 | C1 | C | H8 | 121.0° | 120.0° |
C2 | C1 | C | H9 | 121.0° | 120.0° |
C1 | C2 | C5 | H2 | 2.5° | 0.1° |
C1 | C2 | C3 | H7 | 2.8° | 0.3° |
C2 | C1 | H8 | H9 | 116.7° | 120.0° |
O1 | C | C1 | H8 | 19.6° | 60.0° |
O1 | C | C1 | H9 | 137.6° | 60.0° |
C | C1 | H8 | H9 | 116.8° | 120.0° |
C1 | C | O1 | H10 | 177.4° | 180.0° |
H1 | C4 | C3 | H7 | 0.9° | 0.0° |
H2 | C5 | C6 | H3 | 0.3° | 0.1° |