GLF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | F1 | sing | 1.40Å | 1.70Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.51Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | F1 | 108.0° | 109.4° |
C2 | C1 | O5 | 112.0° | 109.7° |
C2 | C1 | H1 | 107.4° | 109.4° |
C1 | C2 | C3 | 111.7° | 109.0° |
C1 | C2 | O2 | 109.2° | 109.5° |
C1 | C2 | H2 | 108.2° | 109.6° |
F1 | C1 | O5 | 104.8° | 109.5° |
F1 | C1 | H1 | 114.3° | 109.4° |
O5 | C1 | H1 | 110.4° | 109.4° |
C1 | O5 | C5 | 115.8° | 107.6° |
C3 | C2 | O2 | 109.7° | 109.6° |
C3 | C2 | H2 | 107.7° | 109.6° |
C2 | C3 | C4 | 110.3° | 108.6° |
C2 | C3 | O3 | 109.7° | 109.6° |
C2 | C3 | H3 | 108.3° | 109.6° |
O2 | C2 | H2 | 110.3° | 109.6° |
C2 | O2 | HO2 | 109.2° | 106.8° |
C4 | C3 | O3 | 108.0° | 109.7° |
C4 | C3 | H3 | 109.9° | 109.6° |
C3 | C4 | C5 | 109.9° | 109.0° |
C3 | C4 | O4 | 109.8° | 109.6° |
C3 | C4 | H4 | 108.8° | 109.5° |
O3 | C3 | H3 | 110.6° | 109.6° |
C3 | O3 | HO3 | 109.7° | 106.8° |
C5 | C4 | O4 | 108.7° | 109.6° |
C5 | C4 | H4 | 109.8° | 109.6° |
C4 | C5 | C6 | 109.8° | 109.4° |
C4 | C5 | O5 | 109.4° | 109.8° |
C4 | C5 | H5 | 108.4° | 109.4° |
O4 | C4 | H4 | 109.8° | 109.5° |
C4 | O4 | HO4 | 109.8° | 106.9° |
C6 | C5 | O5 | 106.7° | 109.4° |
C6 | C5 | H5 | 111.0° | 109.3° |
C5 | C6 | O6 | 110.4° | 109.5° |
C5 | C6 | H61 | 111.9° | 109.4° |
C5 | C6 | H62 | 111.9° | 109.5° |
O5 | C5 | H5 | 111.4° | 109.5° |
O6 | C6 | H61 | 111.9° | 109.5° |
O6 | C6 | H62 | 111.9° | 109.5° |
C6 | O6 | HO6 | 110.4° | 106.9° |
H61 | C6 | H62 | 98.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | F1 | O5 | 119.5° | 120.3° |
C2 | C1 | F1 | H1 | 119.5° | 119.8° |
C2 | C1 | O5 | H1 | 119.6° | 120.0° |
C1 | C2 | C3 | O2 | 121.2° | 119.9° |
C1 | C2 | C3 | H2 | 118.7° | 119.9° |
C1 | C2 | O2 | H2 | 118.8° | 120.2° |
C1 | C2 | C3 | C4 | 51.8° | 53.7° |
C1 | C2 | C3 | O3 | 170.7° | 173.7° |
C1 | C2 | C3 | H3 | 68.6° | 66.0° |
C2 | C1 | O5 | C5 | 53.9° | 67.7° |
C1 | C2 | O2 | HO2 | 180.0° | 60.1° |
F1 | C1 | O5 | H1 | 123.6° | 119.9° |
F1 | C1 | C2 | C3 | 65.3° | 58.8° |
F1 | C1 | C2 | O2 | 56.1° | 61.1° |
F1 | C1 | C2 | H2 | 176.3° | 178.7° |
F1 | C1 | O5 | C5 | 62.9° | 52.4° |
O5 | C1 | C2 | C3 | 49.5° | 61.3° |
O5 | C1 | C2 | O2 | 171.0° | 178.8° |
O5 | C1 | C2 | H2 | 68.9° | 58.6° |
C1 | O5 | C5 | C4 | 58.0° | 67.7° |
C1 | O5 | C5 | C6 | 176.8° | 172.2° |
C1 | O5 | C5 | H5 | 61.9° | 52.4° |
H1 | C1 | C2 | C3 | 170.9° | 178.6° |
H1 | C1 | C2 | O2 | 67.6° | 58.7° |
H1 | C1 | C2 | H2 | 52.5° | 61.5° |
H1 | C1 | O5 | C5 | 173.6° | 172.3° |
C3 | C2 | O2 | H2 | 118.5° | 120.2° |
C2 | C3 | C4 | O3 | 119.9° | 119.8° |
C2 | C3 | C4 | H3 | 119.4° | 119.7° |
C2 | C3 | O3 | H3 | 119.4° | 120.3° |
C2 | C3 | C4 | C5 | 56.1° | 53.8° |
C2 | C3 | C4 | O4 | 175.7° | 173.7° |
C2 | C3 | C4 | H4 | 64.1° | 66.1° |
C3 | C2 | O2 | HO2 | 57.3° | 179.6° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
O2 | C2 | C3 | C4 | 173.0° | 173.6° |
O2 | C2 | C3 | O3 | 68.1° | 66.5° |
O2 | C2 | C3 | H3 | 52.6° | 53.9° |
H2 | C2 | C3 | C4 | 66.9° | 66.1° |
H2 | C2 | C3 | O3 | 52.0° | 53.8° |
H2 | C2 | C3 | H3 | 172.7° | 174.1° |
H2 | C2 | O2 | HO2 | 61.2° | 60.1° |
C4 | C3 | O3 | H3 | 120.3° | 120.4° |
C3 | C4 | C5 | O4 | 120.2° | 119.9° |
C3 | C4 | C5 | H4 | 119.6° | 119.8° |
C3 | C4 | O4 | H4 | 119.6° | 120.1° |
C3 | C4 | C5 | C6 | 174.6° | 178.6° |
C3 | C4 | C5 | O5 | 57.7° | 61.3° |
C3 | C4 | C5 | H5 | 64.0° | 58.8° |
C4 | C3 | O3 | HO3 | 59.7° | 179.2° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 176.0° | 173.6° |
O3 | C3 | C4 | O4 | 64.5° | 66.4° |
O3 | C3 | C4 | H4 | 55.8° | 53.7° |
H3 | C3 | C4 | C5 | 63.3° | 66.0° |
H3 | C3 | C4 | O4 | 56.3° | 54.0° |
H3 | C3 | C4 | H4 | 176.5° | 174.1° |
H3 | C3 | O3 | HO3 | 60.6° | 60.4° |
C5 | C4 | O4 | H4 | 120.2° | 120.3° |
C4 | C5 | C6 | O5 | 118.5° | 120.3° |
C4 | C5 | C6 | H5 | 119.8° | 119.8° |
C4 | C5 | O5 | H5 | 119.9° | 120.1° |
C4 | C5 | C6 | O6 | 175.3° | 179.8° |
C4 | C5 | C6 | H61 | 59.5° | 60.2° |
C4 | C5 | C6 | H62 | 49.9° | 59.7° |
C5 | C4 | O4 | HO4 | 59.8° | 179.6° |
O4 | C4 | C5 | C6 | 65.2° | 58.6° |
O4 | C4 | C5 | O5 | 177.9° | 178.7° |
O4 | C4 | C5 | H5 | 56.2° | 61.1° |
H4 | C4 | C5 | C6 | 55.0° | 61.6° |
H4 | C4 | C5 | O5 | 61.9° | 58.5° |
H4 | C4 | C5 | H5 | 176.4° | 178.6° |
H4 | C4 | O4 | HO4 | 60.4° | 60.1° |
C6 | C5 | O5 | H5 | 121.4° | 119.8° |
C5 | C6 | O6 | H61 | 125.3° | 120.0° |
C5 | C6 | O6 | H62 | 125.3° | 120.1° |
C5 | C6 | H61 | H62 | 117.8° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
O5 | C5 | C6 | O6 | 56.7° | 59.9° |
O5 | C5 | C6 | H61 | 178.0° | 60.2° |
O5 | C5 | C6 | H62 | 68.6° | 180.0° |
H5 | C5 | C6 | O6 | 64.9° | 60.1° |
H5 | C5 | C6 | H61 | 60.4° | 179.9° |
H5 | C5 | C6 | H62 | 169.8° | 60.0° |
O6 | C6 | H61 | H62 | 117.8° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
H62 | C6 | O6 | HO6 | 54.8° | 60.0° |