SST
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5 | C5 | sing | 1.43Å | 1.38Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
O4 | C4 | sing | 1.43Å | 1.38Å | |
C1 | O1 | sing | 1.43Å | 1.38Å | |
C1 | C2 | sing | 1.53Å | 1.50Å | |
C4 | C3 | sing | 1.53Å | 1.51Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.38Å | |
C3 | O3 | sing | 1.43Å | 1.38Å | |
O3 | H1 | sing | 0.97Å | 0.95Å | |
O4 | H2 | sing | 0.97Å | 0.95Å | |
O2 | H3 | sing | 0.97Å | 0.95Å | |
O5 | H4 | sing | 0.97Å | 0.95Å | |
O1 | H5 | sing | 0.97Å | 0.95Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H8 | sing | 1.09Å | 1.10Å | |
C5 | H9 | sing | 1.09Å | 1.10Å | |
C5 | H10 | sing | 1.09Å | 1.10Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C5 | C4 | 109.4° | 109.4° |
C5 | O5 | H4 | 109.5° | 114.0° |
O5 | C5 | H9 | 109.5° | 109.5° |
O5 | C5 | H10 | 109.5° | 109.5° |
C5 | C4 | O4 | 110.0° | 109.5° |
C5 | C4 | C3 | 113.6° | 109.4° |
C5 | C4 | H7 | 106.7° | 109.5° |
C4 | C5 | H9 | 109.5° | 109.5° |
C4 | C5 | H10 | 109.5° | 109.5° |
O4 | C4 | C3 | 111.0° | 109.5° |
C4 | O4 | H2 | 109.5° | 114.0° |
O4 | C4 | H7 | 108.4° | 109.5° |
O1 | C1 | C2 | 108.9° | 109.5° |
C1 | O1 | H5 | 109.5° | 114.0° |
O1 | C1 | H11 | 109.6° | 109.4° |
O1 | C1 | H12 | 109.6° | 109.5° |
C1 | C2 | C3 | 112.3° | 109.5° |
C1 | C2 | O2 | 107.4° | 109.4° |
C1 | C2 | H8 | 108.7° | 109.5° |
C2 | C1 | H11 | 109.6° | 109.5° |
C2 | C1 | H12 | 109.6° | 109.5° |
C4 | C3 | C2 | 114.7° | 109.5° |
C4 | C3 | O3 | 112.1° | 109.5° |
C4 | C3 | H6 | 105.6° | 109.5° |
C3 | C4 | H7 | 106.8° | 109.5° |
C3 | C2 | O2 | 109.6° | 109.4° |
C2 | C3 | O3 | 111.1° | 109.5° |
C2 | C3 | H6 | 105.5° | 109.4° |
C3 | C2 | H8 | 108.5° | 109.5° |
C2 | O2 | H3 | 109.5° | 114.0° |
O2 | C2 | H8 | 110.3° | 109.5° |
C3 | O3 | H1 | 109.5° | 114.0° |
O3 | C3 | H6 | 107.1° | 109.5° |
H9 | C5 | H10 | 109.5° | 109.5° |
H11 | C1 | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C5 | C4 | H9 | 120.0° | 120.0° |
O5 | C5 | C4 | H10 | 120.0° | 120.0° |
O5 | C5 | C4 | O4 | 54.7° | 65.1° |
O5 | C5 | C4 | C3 | 179.9° | 175.0° |
O5 | C5 | C4 | H7 | 62.8° | 55.0° |
O5 | C5 | H9 | H10 | 120.0° | 120.0° |
C5 | C4 | O4 | C3 | 126.6° | 119.9° |
C5 | C4 | O4 | H7 | 116.4° | 120.0° |
C5 | C4 | C3 | H7 | 117.4° | 120.0° |
C5 | C4 | C3 | C2 | 85.6° | 180.0° |
C5 | C4 | C3 | O3 | 42.3° | 60.0° |
C5 | C4 | O4 | H2 | 180.0° | 60.0° |
C4 | C5 | O5 | H4 | 180.0° | 180.0° |
C5 | C4 | C3 | H6 | 158.6° | 60.1° |
C4 | C5 | H9 | H10 | 120.0° | 120.1° |
O4 | C4 | C3 | H7 | 118.0° | 120.1° |
O4 | C4 | C3 | C2 | 39.0° | 60.0° |
O4 | C4 | C3 | O3 | 167.0° | 180.0° |
O4 | C4 | C3 | H6 | 76.7° | 59.9° |
O4 | C4 | C5 | H9 | 174.7° | 175.0° |
O4 | C4 | C5 | H10 | 65.3° | 54.9° |
O1 | C1 | C2 | H11 | 119.9° | 119.9° |
O1 | C1 | C2 | H12 | 119.9° | 120.0° |
O1 | C1 | C2 | C3 | 66.4° | 175.0° |
O1 | C1 | C2 | O2 | 54.2° | 65.0° |
O1 | C1 | C2 | H8 | 173.6° | 55.0° |
O1 | C1 | H11 | H12 | 120.2° | 119.9° |
C1 | C2 | C3 | C4 | 79.2° | 175.0° |
C1 | C2 | C3 | O2 | 119.4° | 119.9° |
C1 | C2 | C3 | H8 | 120.2° | 120.1° |
C1 | C2 | O2 | H8 | 118.3° | 120.1° |
C1 | C2 | C3 | O3 | 49.2° | 55.0° |
C1 | C2 | O2 | H3 | 180.0° | 60.0° |
C2 | C1 | O1 | H5 | 180.0° | 180.0° |
C1 | C2 | C3 | H6 | 165.0° | 65.0° |
C2 | C1 | H11 | H12 | 120.3° | 120.1° |
C4 | C3 | C2 | O3 | 128.5° | 120.0° |
C4 | C3 | C2 | H6 | 115.7° | 120.0° |
C4 | C3 | C2 | O2 | 161.4° | 55.0° |
C4 | C3 | O3 | H6 | 115.4° | 120.1° |
C4 | C3 | O3 | H1 | 180.0° | 60.0° |
C3 | C4 | O4 | H2 | 53.4° | 60.0° |
C4 | C3 | C2 | H8 | 40.9° | 65.0° |
C3 | C4 | C5 | H9 | 60.1° | 55.0° |
C3 | C4 | C5 | H10 | 59.9° | 65.0° |
C3 | C2 | O2 | H8 | 119.4° | 120.0° |
C2 | C3 | O3 | H6 | 114.8° | 119.9° |
C2 | C3 | O3 | H1 | 50.1° | 60.0° |
C3 | C2 | O2 | H3 | 57.7° | 59.9° |
C2 | C3 | C4 | H7 | 157.0° | 60.1° |
C3 | C2 | C1 | H11 | 173.7° | 55.1° |
C3 | C2 | C1 | H12 | 53.5° | 64.9° |
O2 | C2 | C3 | O3 | 70.1° | 65.0° |
O2 | C2 | C3 | H6 | 45.6° | 175.0° |
O2 | C2 | C1 | H11 | 65.7° | 175.0° |
O2 | C2 | C1 | H12 | 174.2° | 55.0° |
O3 | C3 | C4 | H7 | 75.0° | 60.0° |
O3 | C3 | C2 | H8 | 169.4° | 175.0° |
H1 | O3 | C3 | H6 | 64.6° | 180.0° |
H2 | O4 | C4 | H7 | 63.6° | 180.0° |
H3 | O2 | C2 | H8 | 61.7° | 179.9° |
H4 | O5 | C5 | H9 | 60.0° | 60.0° |
H4 | O5 | C5 | H10 | 60.0° | 60.0° |
H5 | O1 | C1 | H11 | 60.1° | 60.0° |
H5 | O1 | C1 | H12 | 60.1° | 59.9° |
H6 | C3 | C4 | H7 | 41.3° | 180.0° |
H6 | C3 | C2 | H8 | 74.8° | 55.0° |
H7 | C4 | C5 | H9 | 57.3° | 64.9° |
H7 | C4 | C5 | H10 | 177.3° | 175.0° |
H8 | C2 | C1 | H11 | 53.6° | 65.0° |
H8 | C2 | C1 | H12 | 66.5° | 175.0° |