GIV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | O5 | sing | 1.43Å | 1.40Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.40Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.45Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 108.0° | 109.5° |
C2 | C1 | O5 | 105.1° | 109.4° |
C1 | C2 | C3 | 111.4° | 109.2° |
C1 | C2 | O2 | 109.4° | 109.5° |
C2 | C1 | H1 | 110.4° | 109.5° |
C1 | C2 | H2 | 108.0° | 109.5° |
O1 | C1 | O5 | 108.9° | 109.5° |
O1 | C1 | H1 | 111.8° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C1 | O5 | C5 | 113.7° | 114.1° |
O5 | C1 | H1 | 112.2° | 109.5° |
C3 | C2 | O2 | 110.1° | 109.5° |
C2 | C3 | C4 | 107.7° | 109.0° |
C2 | C3 | O3 | 109.8° | 109.6° |
C3 | C2 | H2 | 108.1° | 109.5° |
C2 | C3 | H3 | 107.7° | 109.5° |
O2 | C2 | H2 | 109.8° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C4 | C3 | O3 | 114.9° | 109.5° |
C3 | C4 | C5 | 106.3° | 109.2° |
C3 | C4 | O4 | 111.4° | 109.6° |
C4 | C3 | H3 | 107.8° | 109.6° |
C3 | C4 | H4 | 110.1° | 109.5° |
O3 | C3 | H3 | 108.7° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C5 | C4 | O4 | 107.7° | 109.5° |
C4 | C5 | C6 | 113.8° | 109.5° |
C4 | C5 | O5 | 109.3° | 109.4° |
C5 | C4 | H4 | 109.8° | 109.4° |
C4 | C5 | H5 | 108.3° | 109.5° |
O4 | C4 | H4 | 111.4° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C6 | C5 | O5 | 106.8° | 109.5° |
C5 | C6 | O6 | 108.4° | 109.5° |
C6 | C5 | H5 | 108.8° | 109.5° |
C5 | C6 | H61 | 109.7° | 109.5° |
C5 | C6 | H62 | 109.8° | 109.5° |
O5 | C5 | H5 | 109.8° | 109.5° |
O6 | C6 | H61 | 109.7° | 109.4° |
O6 | C6 | H62 | 109.7° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 113.7° | 119.9° |
C2 | C1 | O1 | H1 | 121.7° | 120.0° |
C2 | C1 | O5 | H1 | 120.0° | 120.0° |
C1 | C2 | C3 | O2 | 121.6° | 119.9° |
C1 | C2 | C3 | H2 | 118.5° | 119.9° |
C1 | C2 | O2 | H2 | 118.4° | 120.2° |
C1 | C2 | C3 | C4 | 60.2° | 57.0° |
C1 | C2 | C3 | O3 | 174.0° | 176.8° |
C2 | C1 | O5 | C5 | 63.9° | 61.1° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | C3 | H3 | 55.8° | 62.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
O1 | C1 | O5 | H1 | 124.4° | 120.1° |
O1 | C1 | C2 | C3 | 176.5° | 177.6° |
O1 | C1 | C2 | O2 | 61.5° | 62.5° |
O1 | C1 | O5 | C5 | 179.5° | 178.9° |
O1 | C1 | C2 | H2 | 58.0° | 57.7° |
O5 | C1 | C2 | C3 | 60.3° | 57.6° |
O5 | C1 | C2 | O2 | 177.7° | 177.5° |
C1 | O5 | C5 | C4 | 66.6° | 61.1° |
C1 | O5 | C5 | C6 | 169.9° | 178.9° |
O5 | C1 | C2 | H2 | 58.2° | 62.3° |
O5 | C1 | O1 | HO1 | 66.3° | 60.0° |
C1 | O5 | C5 | H5 | 52.1° | 58.8° |
C3 | C2 | O2 | H2 | 118.9° | 120.1° |
C2 | C3 | C4 | O3 | 122.7° | 119.9° |
C2 | C3 | C4 | H3 | 116.0° | 119.9° |
C2 | C3 | O3 | H3 | 117.6° | 120.2° |
C2 | C3 | C4 | C5 | 57.3° | 57.0° |
C2 | C3 | C4 | O4 | 59.7° | 62.9° |
C3 | C2 | C1 | H1 | 60.9° | 62.3° |
C3 | C2 | O2 | HO2 | 57.3° | 179.7° |
C2 | C3 | C4 | H4 | 176.2° | 176.8° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
O2 | C2 | C3 | C4 | 178.2° | 176.9° |
O2 | C2 | C3 | O3 | 52.4° | 63.3° |
O2 | C2 | C1 | H1 | 61.1° | 57.5° |
O2 | C2 | C3 | H3 | 65.8° | 57.0° |
C4 | C3 | O3 | H3 | 120.9° | 120.2° |
C3 | C4 | C5 | O4 | 119.5° | 119.9° |
C3 | C4 | C5 | H4 | 119.1° | 119.9° |
C3 | C4 | O4 | H4 | 123.4° | 120.2° |
C3 | C4 | C5 | C6 | 179.2° | 177.6° |
C3 | C4 | C5 | O5 | 60.0° | 57.6° |
C4 | C3 | C2 | H2 | 58.3° | 62.9° |
C4 | C3 | O3 | HO3 | 58.5° | 179.6° |
C3 | C4 | C5 | H5 | 59.7° | 62.4° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 180.0° | 176.9° |
O3 | C3 | C4 | O4 | 63.0° | 57.0° |
O3 | C3 | C2 | H2 | 67.5° | 56.9° |
O3 | C3 | C4 | H4 | 61.1° | 63.3° |
C5 | C4 | O4 | H4 | 120.4° | 120.1° |
C4 | C5 | C6 | O5 | 120.7° | 119.9° |
C4 | C5 | C6 | H5 | 120.8° | 120.0° |
C4 | C5 | O5 | H5 | 118.7° | 119.9° |
C4 | C5 | C6 | O6 | 174.7° | 175.0° |
C5 | C4 | C3 | H3 | 58.6° | 62.9° |
C5 | C4 | O4 | HO4 | 63.8° | 179.7° |
C4 | C5 | C6 | H61 | 65.4° | 65.0° |
C4 | C5 | C6 | H62 | 54.9° | 55.0° |
O4 | C4 | C5 | C6 | 59.8° | 57.6° |
O4 | C4 | C5 | O5 | 59.5° | 62.4° |
O4 | C4 | C3 | H3 | 175.7° | 177.2° |
O4 | C4 | C5 | H5 | 179.1° | 177.7° |
C6 | C5 | O5 | H5 | 117.8° | 120.1° |
C5 | C6 | O6 | H61 | 119.8° | 120.0° |
C5 | C6 | O6 | H62 | 119.8° | 120.0° |
C6 | C5 | C4 | H4 | 61.7° | 62.5° |
C5 | C6 | H61 | H62 | 120.5° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 64.6° | 65.0° |
C5 | O5 | C1 | H1 | 56.1° | 58.8° |
O5 | C5 | C4 | H4 | 179.1° | 177.5° |
O5 | C5 | C6 | H61 | 55.2° | 54.9° |
O5 | C5 | C6 | H62 | 175.6° | 175.0° |
O6 | C6 | C5 | H5 | 53.9° | 55.0° |
O6 | C6 | H61 | H62 | 120.5° | 120.0° |
H1 | C1 | C2 | H2 | 179.5° | 177.7° |
H1 | C1 | O1 | HO1 | 58.3° | 60.0° |
H2 | C2 | C3 | H3 | 174.3° | 177.2° |
H2 | C2 | O2 | HO2 | 61.6° | 60.1° |
H3 | C3 | C4 | H4 | 60.2° | 57.0° |
H3 | C3 | O3 | HO3 | 62.4° | 60.2° |
H4 | C4 | C5 | H5 | 59.4° | 57.5° |
H4 | C4 | O4 | HO4 | 56.6° | 60.2° |
H5 | C5 | C6 | H61 | 173.7° | 175.0° |
H5 | C5 | C6 | H62 | 65.9° | 65.0° |
H61 | C6 | O6 | HO6 | 60.2° | 60.0° |
H62 | C6 | O6 | HO6 | 60.1° | 60.0° |