F1P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.64Å | |
C1 | O1 | sing | 1.43Å | 1.46Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | O2 | sing | 1.43Å | 1.36Å | |
C2 | O6 | sing | 1.43Å | 1.47Å | |
C3 | C4 | sing | 1.53Å | 1.59Å | |
C3 | O3 | sing | 1.43Å | 1.48Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.41Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.57Å | |
C5 | O5 | sing | 1.43Å | 1.49Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.48Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O1 | P1 | sing | 1.61Å | 1.58Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
P1 | O1P | doub | 1.48Å | 1.49Å | |
P1 | O2P | sing | 1.61Å | 1.49Å | |
P1 | O3P | sing | 1.61Å | 1.58Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
O3P | H3P | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 106.6° | 109.5° |
C2 | C1 | H11 | 111.1° | 109.4° |
C2 | C1 | H12 | 110.4° | 109.5° |
C1 | C2 | C3 | 115.3° | 109.4° |
C1 | C2 | O2 | 110.5° | 109.5° |
C1 | C2 | O6 | 107.8° | 109.4° |
O1 | C1 | H11 | 111.1° | 109.4° |
O1 | C1 | H12 | 110.5° | 109.5° |
C1 | O1 | P1 | 125.0° | 106.8° |
H11 | C1 | H12 | 107.2° | 109.4° |
C3 | C2 | O2 | 107.0° | 109.4° |
C3 | C2 | O6 | 105.8° | 109.8° |
C2 | C3 | C4 | 107.6° | 109.1° |
C2 | C3 | O3 | 110.2° | 109.5° |
C2 | C3 | H3 | 110.9° | 109.6° |
O2 | C2 | O6 | 110.4° | 109.4° |
C2 | O2 | HO2 | 109.5° | 106.8° |
C2 | O6 | C6 | 118.3° | 107.6° |
C4 | C3 | O3 | 111.3° | 109.6° |
C4 | C3 | H3 | 109.8° | 109.5° |
C3 | C4 | C5 | 113.7° | 108.6° |
C3 | C4 | O4 | 112.0° | 109.6° |
C3 | C4 | H4 | 104.0° | 109.6° |
O3 | C3 | H3 | 107.2° | 109.5° |
C3 | O3 | HO3 | 109.5° | 106.8° |
C5 | C4 | O4 | 107.1° | 109.8° |
C5 | C4 | H4 | 109.1° | 109.6° |
C4 | C5 | C6 | 108.2° | 109.1° |
C4 | C5 | O5 | 104.9° | 109.6° |
C4 | C5 | H5 | 115.5° | 109.6° |
O4 | C4 | H4 | 110.9° | 109.6° |
C4 | O4 | HO4 | 109.5° | 106.8° |
C6 | C5 | O5 | 115.6° | 109.5° |
C6 | C5 | H5 | 104.9° | 109.5° |
C5 | C6 | O6 | 108.9° | 109.8° |
C5 | C6 | H61 | 109.8° | 109.4° |
C5 | C6 | H62 | 109.7° | 109.3° |
O5 | C5 | H5 | 108.1° | 109.5° |
C5 | O5 | HO5 | 109.5° | 106.8° |
O6 | C6 | H61 | 109.8° | 109.5° |
O6 | C6 | H62 | 109.7° | 109.4° |
H61 | C6 | H62 | 109.0° | 109.4° |
O1 | P1 | O1P | 107.4° | 109.5° |
O1 | P1 | O2P | 104.1° | 109.5° |
O1 | P1 | O3P | 108.6° | 109.5° |
O1P | P1 | O2P | 118.4° | 109.5° |
O1P | P1 | O3P | 106.8° | 109.4° |
O2P | P1 | O3P | 111.1° | 109.5° |
P1 | O2P | H2P | 109.5° | 106.8° |
P1 | O3P | H3P | 109.5° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | H11 | 121.2° | 120.0° |
C2 | C1 | O1 | H12 | 120.0° | 120.1° |
C2 | C1 | H11 | H12 | 120.8° | 120.1° |
C1 | C2 | C3 | O2 | 123.3° | 119.9° |
C1 | C2 | C3 | O6 | 119.0° | 120.0° |
C1 | C2 | O2 | O6 | 119.1° | 119.8° |
C1 | C2 | C3 | C4 | 177.0° | 178.7° |
C1 | C2 | C3 | O3 | 61.6° | 58.8° |
C1 | C2 | C3 | H3 | 56.9° | 61.4° |
C1 | C2 | O6 | C6 | 172.2° | 172.4° |
C2 | C1 | O1 | P1 | 179.1° | 180.0° |
C1 | C2 | O2 | HO2 | 177.1° | 59.8° |
O1 | C1 | H11 | H12 | 120.8° | 120.0° |
O1 | C1 | C2 | C3 | 59.9° | 179.7° |
O1 | C1 | C2 | O2 | 178.7° | 59.8° |
O1 | C1 | C2 | O6 | 58.1° | 60.1° |
C1 | O1 | P1 | O1P | 72.9° | 55.1° |
C1 | O1 | P1 | O2P | 160.7° | 65.0° |
C1 | O1 | P1 | O3P | 42.3° | 175.0° |
H11 | C1 | C2 | C3 | 61.3° | 59.7° |
H11 | C1 | C2 | O2 | 60.2° | 60.2° |
H11 | C1 | C2 | O6 | 179.2° | 180.0° |
H11 | C1 | O1 | P1 | 57.9° | 60.0° |
H12 | C1 | C2 | C3 | 179.9° | 60.2° |
H12 | C1 | C2 | O2 | 58.7° | 179.9° |
H12 | C1 | C2 | O6 | 61.9° | 60.0° |
H12 | C1 | O1 | P1 | 60.9° | 59.9° |
C3 | C2 | O2 | O6 | 114.6° | 120.3° |
C2 | C3 | C4 | O3 | 120.7° | 119.9° |
C2 | C3 | C4 | H3 | 120.7° | 119.9° |
C2 | C3 | O3 | H3 | 120.7° | 120.2° |
C2 | C3 | C4 | C5 | 59.5° | 53.7° |
C2 | C3 | C4 | O4 | 179.0° | 173.6° |
C2 | C3 | C4 | H4 | 59.1° | 66.1° |
C3 | C2 | O6 | C6 | 63.9° | 67.6° |
C3 | C2 | O2 | HO2 | 50.8° | 179.7° |
C2 | C3 | O3 | HO3 | 12.4° | 180.0° |
O2 | C2 | C3 | C4 | 59.7° | 58.8° |
O2 | C2 | C3 | O3 | 61.7° | 61.2° |
O2 | C2 | C3 | H3 | 179.7° | 178.7° |
O2 | C2 | O6 | C6 | 51.5° | 52.5° |
O6 | C2 | C3 | C4 | 58.0° | 61.3° |
O6 | C2 | C3 | O3 | 179.4° | 178.8° |
O6 | C2 | C3 | H3 | 62.1° | 58.6° |
C2 | O6 | C6 | C5 | 59.9° | 67.6° |
C2 | O6 | C6 | H61 | 60.3° | 172.3° |
C2 | O6 | C6 | H62 | 179.9° | 52.4° |
O6 | C2 | O2 | HO2 | 63.8° | 60.0° |
C4 | C3 | O3 | H3 | 120.1° | 120.2° |
C3 | C4 | C5 | O4 | 124.2° | 119.8° |
C3 | C4 | C5 | H4 | 115.6° | 119.7° |
C3 | C4 | O4 | H4 | 115.7° | 120.4° |
C3 | C4 | C5 | C6 | 54.3° | 53.7° |
C3 | C4 | C5 | O5 | 69.6° | 66.2° |
C3 | C4 | C5 | H5 | 171.4° | 173.6° |
C4 | C3 | O3 | HO3 | 106.8° | 60.4° |
C3 | C4 | O4 | HO4 | 69.2° | 180.0° |
O3 | C3 | C4 | C5 | 179.8° | 173.6° |
O3 | C3 | C4 | O4 | 58.2° | 66.5° |
O3 | C3 | C4 | H4 | 61.6° | 53.9° |
H3 | C3 | C4 | C5 | 61.3° | 66.2° |
H3 | C3 | C4 | O4 | 60.3° | 53.7° |
H3 | C3 | C4 | H4 | 179.9° | 174.1° |
H3 | C3 | O3 | HO3 | 133.1° | 59.8° |
C5 | C4 | O4 | H4 | 119.0° | 120.5° |
C4 | C5 | C6 | O5 | 117.2° | 119.9° |
C4 | C5 | C6 | H5 | 123.8° | 120.0° |
C4 | C5 | O5 | H5 | 123.8° | 120.2° |
C4 | C5 | C6 | O6 | 50.4° | 61.3° |
C4 | C5 | C6 | H61 | 69.9° | 178.6° |
C4 | C5 | C6 | H62 | 170.4° | 58.8° |
C5 | C4 | O4 | HO4 | 165.5° | 60.8° |
C4 | C5 | O5 | HO5 | 69.0° | 179.8° |
O4 | C4 | C5 | C6 | 178.5° | 173.5° |
O4 | C4 | C5 | O5 | 54.6° | 53.6° |
O4 | C4 | C5 | H5 | 64.3° | 66.6° |
H4 | C4 | C5 | C6 | 61.3° | 66.1° |
H4 | C4 | C5 | O5 | 174.8° | 174.1° |
H4 | C4 | C5 | H5 | 55.8° | 53.9° |
H4 | C4 | O4 | HO4 | 46.5° | 59.6° |
C6 | C5 | O5 | H5 | 117.1° | 120.1° |
C5 | C6 | O6 | H61 | 120.2° | 120.1° |
C5 | C6 | O6 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H62 | 120.1° | 119.8° |
C6 | C5 | O5 | HO5 | 50.0° | 60.2° |
O5 | C5 | C6 | O6 | 66.9° | 58.7° |
O5 | C5 | C6 | H61 | 172.9° | 61.5° |
O5 | C5 | C6 | H62 | 53.1° | 178.7° |
H5 | C5 | C6 | O6 | 174.2° | 178.8° |
H5 | C5 | C6 | H61 | 53.9° | 58.6° |
H5 | C5 | C6 | H62 | 65.8° | 61.2° |
H5 | C5 | O5 | HO5 | 167.2° | 59.9° |
O6 | C6 | H61 | H62 | 120.2° | 119.9° |
O1 | P1 | O1P | O2P | 117.4° | 120.0° |
O1 | P1 | O1P | O3P | 116.4° | 120.0° |
O1 | P1 | O2P | O3P | 116.7° | 120.0° |
O1 | P1 | O2P | H2P | 84.8° | 60.0° |
O1 | P1 | O3P | H3P | 90.0° | 179.9° |
O1P | P1 | O2P | O3P | 124.2° | 120.0° |
O1P | P1 | O2P | H2P | 34.3° | 180.0° |
O1P | P1 | O3P | H3P | 154.5° | 60.0° |
O2P | P1 | O3P | H3P | 24.0° | 60.0° |
O3P | P1 | O2P | H2P | 158.5° | 60.0° |