OI7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | C4 | sing | 1.55Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.37Å | |
C4 | C5 | sing | 1.55Å | 1.49Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O5 | C5 | sing | 1.44Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O6 | C6 | sing | 1.43Å | 1.38Å | |
C6 | C7 | sing | 1.53Å | 1.49Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C7 | O7 | sing | 1.43Å | 1.40Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
O7 | P2 | sing | 1.61Å | 1.57Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C2 | O5 | sing | 1.44Å | 1.44Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O3 | C3 | sing | 1.43Å | 1.48Å | |
C3 | C2 | sing | 1.54Å | 1.56Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O2 | C2 | sing | 1.43Å | 1.38Å | |
C1 | C2 | sing | 1.53Å | 1.50Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O1 | C1 | sing | 1.43Å | 1.40Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H1A | sing | 1.09Å | 1.10Å | |
P1 | O1 | sing | 1.61Å | 1.57Å | |
O3P | P1 | doub | 1.48Å | 1.54Å | |
O1P | P1 | sing | 1.61Å | 1.55Å | |
P1 | O2P | sing | 1.61Å | 1.52Å | |
O1P | HO1P | sing | 0.97Å | 0.95Å | |
O2P | HO2P | sing | 0.97Å | 0.95Å | |
P2 | O6P | doub | 1.48Å | 1.56Å | |
P2 | O5P | sing | 1.61Å | 1.57Å | |
P2 | O4P | sing | 1.61Å | 1.57Å | |
O5P | HO5P | sing | 0.97Å | 0.95Å | |
O4P | HO4P | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C4 | O4 | 116.3° | 110.9° |
C3 | C4 | C5 | 101.5° | 102.1° |
C3 | C4 | H4 | 113.3° | 111.0° |
C4 | C3 | O3 | 114.2° | 110.5° |
C4 | C3 | C2 | 106.4° | 104.2° |
C4 | C3 | H3 | 110.8° | 110.5° |
O4 | C4 | C5 | 116.7° | 110.9° |
O4 | C4 | H4 | 96.8° | 110.8° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C5 | C4 | H4 | 112.8° | 110.9° |
C4 | C5 | O5 | 111.7° | 103.5° |
C4 | C5 | C6 | 103.6° | 110.6° |
C4 | C5 | H5 | 113.1° | 110.6° |
O5 | C5 | C6 | 112.7° | 110.6° |
O5 | C5 | H5 | 104.0° | 110.8° |
C5 | O5 | C2 | 108.0° | 107.0° |
C6 | C5 | H5 | 112.0° | 110.5° |
C5 | C6 | O6 | 108.2° | 109.5° |
C5 | C6 | C7 | 113.8° | 109.5° |
C5 | C6 | H6 | 106.4° | 109.5° |
O6 | C6 | C7 | 106.0° | 109.5° |
O6 | C6 | H6 | 114.1° | 109.4° |
C6 | O6 | HO6 | 109.5° | 114.0° |
C7 | C6 | H6 | 108.5° | 109.5° |
C6 | C7 | O7 | 107.2° | 109.5° |
C6 | C7 | H7 | 110.2° | 109.5° |
C6 | C7 | H7A | 110.2° | 109.5° |
O7 | C7 | H7 | 110.3° | 109.4° |
O7 | C7 | H7A | 110.3° | 109.5° |
C7 | O7 | P2 | 121.2° | 123.0° |
H7 | C7 | H7A | 108.7° | 109.5° |
O7 | P2 | O6P | 110.3° | 109.5° |
O7 | P2 | O5P | 110.2° | 109.5° |
O7 | P2 | O4P | 106.7° | 109.5° |
O5 | C2 | C3 | 102.1° | 107.3° |
O5 | C2 | O2 | 114.7° | 109.9° |
O5 | C2 | C1 | 111.9° | 109.9° |
O3 | C3 | C2 | 115.5° | 110.5° |
O3 | C3 | H3 | 100.6° | 110.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C2 | C3 | H3 | 109.3° | 110.5° |
C3 | C2 | O2 | 108.3° | 109.8° |
C3 | C2 | C1 | 116.0° | 109.9° |
O2 | C2 | C1 | 104.2° | 110.0° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C1 | O1 | 109.2° | 109.5° |
C2 | C1 | H1 | 109.6° | 109.5° |
C2 | C1 | H1A | 109.5° | 109.5° |
O1 | C1 | H1 | 109.6° | 109.5° |
O1 | C1 | H1A | 109.6° | 109.5° |
C1 | O1 | P1 | 123.5° | 123.0° |
H1 | C1 | H1A | 109.3° | 109.4° |
O1 | P1 | O3P | 104.9° | 109.5° |
O1 | P1 | O1P | 112.1° | 109.4° |
O1 | P1 | O2P | 109.7° | 109.5° |
O3P | P1 | O1P | 110.6° | 109.5° |
O3P | P1 | O2P | 112.0° | 109.5° |
O1P | P1 | O2P | 107.6° | 109.5° |
P1 | O1P | HO1P | 109.5° | 114.0° |
P1 | O2P | HO2P | 109.5° | 114.0° |
O6P | P2 | O5P | 105.9° | 109.4° |
O6P | P2 | O4P | 110.2° | 109.5° |
O5P | P2 | O4P | 113.6° | 109.5° |
P2 | O5P | HO5P | 109.5° | 114.0° |
P2 | O4P | HO4P | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C4 | O4 | C5 | 119.8° | 112.7° |
C3 | C4 | O4 | H4 | 120.3° | 123.7° |
C3 | C4 | C5 | H4 | 121.6° | 118.3° |
C3 | C4 | C5 | O5 | 1.5° | 37.0° |
C3 | C4 | C5 | C6 | 120.0° | 155.5° |
C3 | C4 | C5 | H5 | 118.5° | 81.6° |
C4 | C3 | C2 | O5 | 31.5° | 2.0° |
C3 | C4 | O4 | HO4 | 180.0° | 67.3° |
C4 | C3 | O3 | C2 | 123.9° | 114.8° |
C4 | C3 | O3 | H3 | 118.7° | 122.6° |
C4 | C3 | C2 | H3 | 119.7° | 118.7° |
C4 | C3 | O3 | HO3 | 180.0° | 61.5° |
C4 | C3 | C2 | O2 | 152.9° | 121.5° |
C4 | C3 | C2 | C1 | 90.5° | 117.4° |
O4 | C4 | C5 | H4 | 110.9° | 123.6° |
O4 | C4 | C5 | O5 | 125.9° | 155.2° |
O4 | C4 | C5 | C6 | 112.6° | 86.3° |
O4 | C4 | C5 | H5 | 8.9° | 36.5° |
O4 | C4 | C3 | O3 | 123.6° | 102.3° |
O4 | C4 | C3 | C2 | 107.8° | 139.0° |
O4 | C4 | C3 | H3 | 10.9° | 20.4° |
C4 | C5 | O5 | C6 | 116.1° | 118.5° |
C4 | C5 | O5 | H5 | 122.3° | 118.5° |
C4 | C5 | C6 | H5 | 122.3° | 122.9° |
C4 | C5 | C6 | O6 | 7.6° | 60.0° |
C4 | C5 | C6 | C7 | 110.0° | 180.0° |
C4 | C5 | C6 | H6 | 130.6° | 59.9° |
C4 | C5 | O5 | C2 | 19.3° | 40.0° |
C5 | C4 | O4 | HO4 | 60.2° | 180.0° |
C5 | C4 | C3 | O3 | 108.7° | 139.6° |
C5 | C4 | C3 | C2 | 20.0° | 20.9° |
C5 | C4 | C3 | H3 | 138.7° | 97.8° |
H4 | C4 | C5 | O5 | 123.2° | 81.3° |
H4 | C4 | C5 | C6 | 1.7° | 37.3° |
H4 | C4 | C5 | H5 | 119.9° | 160.1° |
H4 | C4 | O4 | HO4 | 59.7° | 56.4° |
H4 | C4 | C3 | O3 | 12.6° | 21.4° |
H4 | C4 | C3 | C2 | 141.3° | 97.3° |
H4 | C4 | C3 | H3 | 100.1° | 144.0° |
O5 | C5 | C6 | H5 | 116.9° | 123.1° |
O5 | C5 | C6 | O6 | 113.3° | 174.1° |
O5 | C5 | C6 | C7 | 129.2° | 65.9° |
O5 | C5 | C6 | H6 | 9.8° | 54.1° |
C5 | O5 | C2 | C3 | 30.4° | 26.5° |
C5 | O5 | C2 | O2 | 147.3° | 145.9° |
C5 | O5 | C2 | C1 | 94.3° | 92.9° |
C5 | C6 | O6 | C7 | 122.4° | 120.0° |
C5 | C6 | O6 | H6 | 118.2° | 120.0° |
C5 | C6 | C7 | H6 | 118.3° | 120.0° |
C5 | C6 | C7 | O7 | 158.5° | 175.0° |
C5 | C6 | C7 | H7 | 81.5° | 55.1° |
C5 | C6 | C7 | H7A | 38.5° | 65.0° |
C5 | C6 | O6 | HO6 | 180.0° | 60.1° |
C6 | C5 | O5 | C2 | 135.3° | 158.5° |
H5 | C5 | C6 | O6 | 129.8° | 62.9° |
H5 | C5 | C6 | C7 | 12.3° | 57.1° |
H5 | C5 | C6 | H6 | 107.2° | 177.2° |
H5 | C5 | O5 | C2 | 103.1° | 78.5° |
O6 | C6 | C7 | H6 | 123.0° | 120.0° |
O6 | C6 | C7 | O7 | 39.7° | 65.0° |
O6 | C6 | C7 | H7 | 159.8° | 175.1° |
O6 | C6 | C7 | H7A | 80.3° | 55.0° |
C6 | C7 | O7 | H7 | 120.0° | 120.0° |
C6 | C7 | O7 | H7A | 120.0° | 120.1° |
C6 | C7 | H7 | H7A | 120.9° | 120.1° |
C6 | C7 | O7 | P2 | 138.9° | 180.0° |
C7 | C6 | O6 | HO6 | 57.6° | 60.0° |
H6 | C6 | C7 | O7 | 83.3° | 54.9° |
H6 | C6 | C7 | H7 | 36.8° | 65.0° |
H6 | C6 | C7 | H7A | 156.7° | 175.0° |
H6 | C6 | O6 | HO6 | 61.8° | 180.0° |
O7 | C7 | H7 | H7A | 121.0° | 120.0° |
C7 | O7 | P2 | O6P | 74.7° | 55.0° |
C7 | O7 | P2 | O5P | 168.8° | 64.9° |
C7 | O7 | P2 | O4P | 45.0° | 175.0° |
H7 | C7 | O7 | P2 | 18.9° | 60.1° |
H7A | C7 | O7 | P2 | 101.1° | 59.9° |
O7 | P2 | O6P | O5P | 119.2° | 120.0° |
O7 | P2 | O6P | O4P | 117.5° | 120.0° |
O7 | P2 | O5P | O4P | 119.6° | 120.0° |
O7 | P2 | O5P | HO5P | 119.3° | 60.0° |
O7 | P2 | O4P | HO4P | 119.7° | 180.0° |
O5 | C2 | C3 | O3 | 96.4° | 116.6° |
O5 | C2 | C3 | O2 | 121.4° | 119.5° |
O5 | C2 | C3 | C1 | 121.9° | 119.4° |
O5 | C2 | C3 | H3 | 151.1° | 120.7° |
O5 | C2 | O2 | C1 | 122.7° | 121.1° |
O5 | C2 | O2 | HO2 | 180.0° | 62.2° |
O5 | C2 | C1 | O1 | 142.0° | 62.2° |
O5 | C2 | C1 | H1 | 98.0° | 177.8° |
O5 | C2 | C1 | H1A | 21.9° | 57.8° |
O3 | C3 | C2 | H3 | 112.5° | 122.7° |
O3 | C3 | C2 | O2 | 25.0° | 2.8° |
O3 | C3 | C2 | C1 | 141.7° | 123.9° |
C2 | C3 | O3 | HO3 | 56.1° | 176.2° |
C3 | C2 | O2 | C1 | 124.0° | 121.1° |
C3 | C2 | O2 | HO2 | 66.7° | 180.0° |
C3 | C2 | C1 | O1 | 101.5° | 180.0° |
C3 | C2 | C1 | H1 | 18.5° | 60.0° |
C3 | C2 | C1 | H1A | 138.5° | 60.0° |
H3 | C3 | O3 | HO3 | 61.4° | 61.1° |
H3 | C3 | C2 | O2 | 87.5° | 119.9° |
H3 | C3 | C2 | C1 | 29.2° | 1.3° |
O2 | C2 | C1 | O1 | 17.5° | 58.9° |
O2 | C2 | C1 | H1 | 137.5° | 61.0° |
O2 | C2 | C1 | H1A | 102.6° | 179.0° |
C1 | C2 | O2 | HO2 | 57.4° | 58.9° |
C2 | C1 | O1 | H1 | 120.0° | 120.0° |
C2 | C1 | O1 | H1A | 120.0° | 120.1° |
C2 | C1 | H1 | H1A | 120.1° | 120.0° |
C2 | C1 | O1 | P1 | 174.1° | 180.0° |
O1 | C1 | H1 | H1A | 120.1° | 120.0° |
C1 | O1 | P1 | O3P | 178.0° | 54.9° |
C1 | O1 | P1 | O1P | 61.9° | 65.1° |
C1 | O1 | P1 | O2P | 57.6° | 175.0° |
H1 | C1 | O1 | P1 | 65.9° | 60.1° |
H1A | C1 | O1 | P1 | 54.1° | 59.9° |
O1 | P1 | O3P | O1P | 121.1° | 120.0° |
O1 | P1 | O3P | O2P | 118.9° | 120.0° |
O1 | P1 | O1P | O2P | 120.7° | 120.0° |
O1 | P1 | O1P | HO1P | 116.7° | 60.0° |
O1 | P1 | O2P | HO2P | 116.1° | 180.0° |
O3P | P1 | O1P | O2P | 122.6° | 120.0° |
O3P | P1 | O1P | HO1P | 0.0° | 180.0° |
O3P | P1 | O2P | HO2P | 0.0° | 60.0° |
O1P | P1 | O2P | HO2P | 121.7° | 60.0° |
O2P | P1 | O1P | HO1P | 122.6° | 60.0° |
O6P | P2 | O5P | O4P | 121.1° | 120.0° |
O6P | P2 | O5P | HO5P | 0.0° | 180.0° |
O6P | P2 | O4P | HO4P | 0.0° | 60.0° |
O5P | P2 | O4P | HO4P | 118.7° | 60.0° |
O4P | P2 | O5P | HO5P | 121.1° | 60.0° |