V4W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | sing | 1.43Å | 1.38Å | |
C1 | O1 | doub | 1.21Å | 1.21Å | |
C1 | C2 | sing | 1.51Å | 1.49Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
O6B | C6 | doub | 1.21Å | 1.15Å | |
O5 | C5 | doub | 1.21Å | 1.18Å | |
C6 | C5 | sing | 1.49Å | 1.46Å | |
C6 | O6A | sing | 1.35Å | 1.21Å | |
C3 | C4 | sing | 1.53Å | 1.47Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C5 | C4 | sing | 1.51Å | 1.47Å | |
O2 | H1 | sing | 0.97Å | 0.95Å | |
C1 | H2 | sing | 1.08Å | 1.08Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
O3 | H7 | sing | 0.97Å | 0.95Å | |
O6A | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | C1 | 109.3° | 109.5° |
O2 | C2 | C3 | 106.3° | 109.4° |
C2 | O2 | H1 | 109.5° | 114.0° |
O2 | C2 | H3 | 110.3° | 109.5° |
O1 | C1 | C2 | 117.3° | 120.0° |
O1 | C1 | H2 | 121.4° | 120.0° |
C1 | C2 | C3 | 113.7° | 109.5° |
C2 | C1 | H2 | 121.3° | 120.0° |
C1 | C2 | H3 | 108.7° | 109.5° |
C2 | C3 | C4 | 103.8° | 109.5° |
C2 | C3 | O3 | 117.8° | 109.4° |
C3 | C2 | H3 | 108.5° | 109.5° |
C2 | C3 | H4 | 108.4° | 109.5° |
O6B | C6 | C5 | 116.9° | 120.0° |
O6B | C6 | O6A | 110.4° | 120.0° |
O5 | C5 | C6 | 123.3° | 120.0° |
O5 | C5 | C4 | 117.6° | 120.0° |
C5 | C6 | O6A | 132.7° | 120.0° |
C6 | C5 | C4 | 119.0° | 120.0° |
C6 | O6A | H8 | 109.5° | 116.9° |
C4 | C3 | O3 | 107.9° | 109.5° |
C3 | C4 | C5 | 100.0° | 109.5° |
C4 | C3 | H4 | 108.8° | 109.5° |
C3 | C4 | H5 | 111.8° | 109.5° |
C3 | C4 | H6 | 111.8° | 109.5° |
O3 | C3 | H4 | 109.8° | 109.5° |
C3 | O3 | H7 | 109.5° | 114.0° |
C5 | C4 | H5 | 111.8° | 109.4° |
C5 | C4 | H6 | 111.8° | 109.4° |
H5 | C4 | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | C1 | O1 | 152.9° | 0.0° |
O2 | C2 | C1 | C3 | 118.6° | 120.0° |
O2 | C2 | C1 | H3 | 120.4° | 120.0° |
O2 | C2 | C3 | H3 | 118.6° | 120.0° |
O2 | C2 | C3 | C4 | 98.0° | 60.0° |
O2 | C2 | C3 | O3 | 142.9° | 180.0° |
O2 | C2 | C1 | H2 | 27.1° | 180.0° |
O2 | C2 | C3 | H4 | 17.5° | 60.0° |
O1 | C1 | C2 | H2 | 180.0° | 180.0° |
O1 | C1 | C2 | C3 | 88.4° | 120.0° |
O1 | C1 | C2 | H3 | 32.5° | 120.0° |
C1 | C2 | C3 | H3 | 121.1° | 120.0° |
C1 | C2 | C3 | C4 | 141.7° | 180.0° |
C1 | C2 | C3 | O3 | 22.6° | 60.0° |
C1 | C2 | O2 | H1 | 180.0° | 59.9° |
C1 | C2 | C3 | H4 | 102.8° | 60.0° |
C2 | C3 | C4 | O3 | 125.7° | 120.0° |
C2 | C3 | C4 | H4 | 115.2° | 120.0° |
C2 | C3 | O3 | H4 | 124.6° | 120.0° |
C2 | C3 | C4 | C5 | 70.3° | 175.0° |
C3 | C2 | O2 | H1 | 56.9° | 60.1° |
C3 | C2 | C1 | H2 | 91.5° | 60.0° |
C2 | C3 | C4 | H5 | 171.2° | 65.0° |
C2 | C3 | C4 | H6 | 48.1° | 55.1° |
C2 | C3 | O3 | H7 | 180.0° | 60.1° |
O6B | C6 | C5 | O5 | 2.9° | 180.0° |
O6B | C6 | C5 | O6A | 178.3° | 180.0° |
O6B | C6 | C5 | C4 | 179.6° | 0.0° |
O6B | C6 | O6A | H8 | 0.0° | 0.1° |
O5 | C5 | C6 | C4 | 177.5° | 180.0° |
O5 | C5 | C6 | O6A | 175.4° | 0.0° |
O5 | C5 | C4 | C3 | 138.5° | 0.0° |
O5 | C5 | C4 | H5 | 103.0° | 120.0° |
O5 | C5 | C4 | H6 | 20.1° | 120.0° |
C6 | C5 | C4 | C3 | 43.8° | 180.0° |
C6 | C5 | C4 | H5 | 74.7° | 60.0° |
C6 | C5 | C4 | H6 | 162.2° | 60.0° |
C5 | C6 | O6A | H8 | 178.3° | 180.0° |
O6A | C6 | C5 | C4 | 2.2° | 180.0° |
C4 | C3 | O3 | H4 | 118.4° | 120.0° |
C3 | C4 | C5 | H5 | 118.5° | 120.0° |
C3 | C4 | C5 | H6 | 118.4° | 120.0° |
C4 | C3 | C2 | H3 | 20.6° | 60.0° |
C3 | C4 | H5 | H6 | 124.4° | 120.1° |
C4 | C3 | O3 | H7 | 63.0° | 59.9° |
O3 | C3 | C4 | C5 | 163.9° | 65.0° |
O3 | C3 | C2 | H3 | 98.5° | 60.0° |
O3 | C3 | C4 | H5 | 45.5° | 54.9° |
O3 | C3 | C4 | H6 | 77.6° | 175.0° |
C5 | C4 | C3 | H4 | 44.9° | 55.0° |
C5 | C4 | H5 | H6 | 124.4° | 120.0° |
H1 | O2 | C2 | H3 | 60.5° | 179.9° |
H2 | C1 | C2 | H3 | 147.5° | 60.0° |
H3 | C2 | C3 | H4 | 136.2° | 180.0° |
H4 | C3 | C4 | H5 | 73.5° | 174.9° |
H4 | C3 | C4 | H6 | 163.3° | 65.0° |
H4 | C3 | O3 | H7 | 55.4° | 179.9° |