5UF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O12 | C1 | doub | 1.21Å | 1.25Å | |
C1 | O13 | sing | 1.34Å | 1.27Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | O14 | sing | 1.43Å | 1.44Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C7 | C8 | sing | 1.53Å | 1.52Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C9 | C10 | sing | 1.53Å | 1.50Å | |
C2 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H6 | sing | 1.09Å | 1.10Å | |
C5 | H7 | sing | 1.09Å | 1.10Å | |
C6 | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
O14 | H10 | sing | 0.97Å | 0.95Å | |
O13 | H11 | sing | 0.97Å | 0.95Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
C7 | H13 | sing | 1.09Å | 1.10Å | |
C8 | H14 | sing | 1.09Å | 1.10Å | |
C8 | H15 | sing | 1.09Å | 1.10Å | |
C9 | H16 | sing | 1.09Å | 1.10Å | |
C9 | H17 | sing | 1.09Å | 1.10Å | |
C10 | H18 | sing | 1.09Å | 1.10Å | |
C10 | H19 | sing | 1.09Å | 1.10Å | |
C10 | H20 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O12 | C1 | O13 | 122.8° | 120.0° |
O12 | C1 | C2 | 115.4° | 120.0° |
O13 | C1 | C2 | 121.8° | 120.0° |
C1 | O13 | H11 | 109.5° | 117.0° |
C1 | C2 | C3 | 114.9° | 109.5° |
C1 | C2 | H1 | 108.1° | 109.5° |
C1 | C2 | H2 | 108.1° | 109.5° |
C2 | C3 | C4 | 108.4° | 109.5° |
C2 | C3 | O14 | 109.5° | 109.5° |
C3 | C2 | H1 | 108.1° | 109.4° |
C3 | C2 | H2 | 108.1° | 109.5° |
C2 | C3 | H3 | 109.2° | 109.4° |
C4 | C3 | O14 | 110.1° | 109.5° |
C3 | C4 | C5 | 111.8° | 109.5° |
C4 | C3 | H3 | 109.2° | 109.4° |
C3 | C4 | H4 | 108.9° | 109.5° |
C3 | C4 | H5 | 108.9° | 109.5° |
O14 | C3 | H3 | 110.5° | 109.5° |
C3 | O14 | H10 | 109.5° | 114.0° |
C4 | C5 | C6 | 112.2° | 109.5° |
C5 | C4 | H4 | 108.9° | 109.5° |
C5 | C4 | H5 | 108.9° | 109.4° |
C4 | C5 | H6 | 108.8° | 109.5° |
C4 | C5 | H7 | 108.8° | 109.4° |
C5 | C6 | C7 | 108.6° | 109.5° |
C6 | C5 | H6 | 108.8° | 109.5° |
C6 | C5 | H7 | 108.8° | 109.5° |
C5 | C6 | H8 | 109.7° | 109.5° |
C5 | C6 | H9 | 109.7° | 109.5° |
C6 | C7 | C8 | 114.2° | 109.5° |
C7 | C6 | H8 | 109.7° | 109.4° |
C7 | C6 | H9 | 109.7° | 109.5° |
C6 | C7 | H12 | 108.3° | 109.4° |
C6 | C7 | H13 | 108.3° | 109.5° |
C7 | C8 | C9 | 105.5° | 109.5° |
C8 | C7 | H12 | 108.3° | 109.5° |
C8 | C7 | H13 | 108.3° | 109.5° |
C7 | C8 | H14 | 110.5° | 109.5° |
C7 | C8 | H15 | 110.5° | 109.5° |
C8 | C9 | C10 | 112.6° | 109.4° |
C9 | C8 | H14 | 110.5° | 109.5° |
C9 | C8 | H15 | 110.4° | 109.5° |
C8 | C9 | H16 | 108.7° | 109.5° |
C8 | C9 | H17 | 108.7° | 109.5° |
C10 | C9 | H16 | 108.7° | 109.4° |
C10 | C9 | H17 | 108.7° | 109.5° |
C9 | C10 | H18 | 109.5° | 109.5° |
C9 | C10 | H19 | 109.4° | 109.5° |
C9 | C10 | H20 | 109.4° | 109.5° |
H1 | C2 | H2 | 109.5° | 109.5° |
H4 | C4 | H5 | 109.5° | 109.5° |
H6 | C5 | H7 | 109.5° | 109.5° |
H8 | C6 | H9 | 109.4° | 109.5° |
H12 | C7 | H13 | 109.5° | 109.5° |
H14 | C8 | H15 | 109.5° | 109.5° |
H16 | C9 | H17 | 109.4° | 109.5° |
H18 | C10 | H19 | 109.5° | 109.4° |
H18 | C10 | H20 | 109.5° | 109.5° |
H19 | C10 | H20 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | C1 | O13 | C2 | 178.8° | 179.8° |
O12 | C1 | C2 | C3 | 177.8° | 0.2° |
O12 | C1 | C2 | H1 | 57.0° | 119.7° |
O12 | C1 | C2 | H2 | 61.4° | 120.3° |
O12 | C1 | O13 | H11 | 0.0° | 0.2° |
O13 | C1 | C2 | C3 | 1.1° | 180.0° |
O13 | C1 | C2 | H1 | 121.9° | 60.1° |
O13 | C1 | C2 | H2 | 119.7° | 59.9° |
C1 | C2 | C3 | H1 | 120.8° | 120.0° |
C1 | C2 | C3 | H2 | 120.8° | 120.0° |
C1 | C2 | C3 | C4 | 177.0° | 175.0° |
C1 | C2 | C3 | O14 | 62.9° | 65.0° |
C1 | C2 | H1 | H2 | 117.5° | 120.0° |
C1 | C2 | C3 | H3 | 58.2° | 55.0° |
C2 | C1 | O13 | H11 | 178.7° | 180.0° |
C2 | C3 | C4 | O14 | 119.7° | 120.0° |
C2 | C3 | C4 | H3 | 118.9° | 120.0° |
C2 | C3 | O14 | H3 | 120.3° | 120.0° |
C2 | C3 | C4 | C5 | 171.0° | 175.0° |
C3 | C2 | H1 | H2 | 117.5° | 120.0° |
C2 | C3 | C4 | H4 | 68.7° | 65.0° |
C2 | C3 | C4 | H5 | 50.6° | 55.0° |
C2 | C3 | O14 | H10 | 180.0° | 60.0° |
C4 | C3 | O14 | H3 | 120.6° | 120.0° |
C3 | C4 | C5 | H4 | 120.4° | 120.0° |
C3 | C4 | C5 | H5 | 120.4° | 120.0° |
C3 | C4 | C5 | C6 | 172.7° | NaN° |
C4 | C3 | C2 | H1 | 62.2° | 65.0° |
C4 | C3 | C2 | H2 | 56.2° | 55.0° |
C3 | C4 | H4 | H5 | 118.9° | 120.0° |
C3 | C4 | C5 | H6 | 52.3° | 60.0° |
C3 | C4 | C5 | H7 | 66.9° | 60.0° |
C4 | C3 | O14 | H10 | 60.9° | 60.0° |
O14 | C3 | C4 | C5 | 69.3° | 65.0° |
O14 | C3 | C2 | H1 | 57.9° | 55.0° |
O14 | C3 | C2 | H2 | 176.3° | 175.0° |
O14 | C3 | C4 | H4 | 51.0° | 55.0° |
O14 | C3 | C4 | H5 | 170.3° | 175.0° |
C4 | C5 | C6 | H6 | 120.4° | 120.1° |
C4 | C5 | C6 | H7 | 120.4° | 120.0° |
C4 | C5 | C6 | C7 | 168.7° | 180.0° |
C5 | C4 | C3 | H3 | 52.1° | 55.0° |
C5 | C4 | H4 | H5 | 118.9° | 119.9° |
C4 | C5 | H6 | H7 | 118.7° | 120.0° |
C4 | C5 | C6 | H8 | 48.8° | 60.0° |
C4 | C5 | C6 | H9 | 71.4° | 60.0° |
C5 | C6 | C7 | H8 | 119.9° | 120.0° |
C5 | C6 | C7 | H9 | 119.9° | 120.0° |
C5 | C6 | C7 | C8 | 170.6° | NaN° |
C6 | C5 | C4 | H4 | 67.0° | 60.0° |
C6 | C5 | C4 | H5 | 52.3° | 60.0° |
C6 | C5 | H6 | H7 | 118.7° | 120.0° |
C5 | C6 | H8 | H9 | 120.4° | 120.0° |
C5 | C6 | C7 | H12 | 49.9° | 60.0° |
C5 | C6 | C7 | H13 | 68.7° | 60.0° |
C6 | C7 | C8 | H12 | 120.7° | 120.0° |
C6 | C7 | C8 | H13 | 120.7° | 120.0° |
C6 | C7 | C8 | C9 | 163.1° | 180.0° |
C7 | C6 | C5 | H6 | 70.9° | 60.0° |
C7 | C6 | C5 | H7 | 48.3° | 60.0° |
C7 | C6 | H8 | H9 | 120.4° | 119.9° |
C6 | C7 | H12 | H13 | 117.8° | 119.9° |
C6 | C7 | C8 | H14 | 77.5° | 60.0° |
C6 | C7 | C8 | H15 | 43.7° | 60.0° |
C7 | C8 | C9 | H14 | 119.4° | 120.0° |
C7 | C8 | C9 | H15 | 119.4° | 120.0° |
C7 | C8 | C9 | C10 | 157.2° | 180.0° |
C8 | C7 | C6 | H8 | 69.5° | 60.0° |
C8 | C7 | C6 | H9 | 50.7° | 60.0° |
C8 | C7 | H12 | H13 | 117.8° | 120.0° |
C7 | C8 | H14 | H15 | 121.8° | 120.0° |
C7 | C8 | C9 | H16 | 82.3° | 60.1° |
C7 | C8 | C9 | H17 | 36.7° | 60.0° |
C8 | C9 | C10 | H16 | 120.5° | 120.0° |
C8 | C9 | C10 | H17 | 120.5° | 120.0° |
C9 | C8 | C7 | H12 | 42.4° | 60.0° |
C9 | C8 | C7 | H13 | 76.2° | 60.0° |
C9 | C8 | H14 | H15 | 121.8° | 120.0° |
C8 | C9 | H16 | H17 | 118.6° | 120.1° |
C8 | C9 | C10 | H18 | 180.0° | 180.0° |
C8 | C9 | C10 | H19 | 60.0° | 60.1° |
C8 | C9 | C10 | H20 | 60.0° | 60.0° |
C10 | C9 | C8 | H14 | 37.8° | 60.0° |
C10 | C9 | C8 | H15 | 83.4° | 60.0° |
C10 | C9 | H16 | H17 | 118.6° | 120.0° |
C9 | C10 | H18 | H19 | 120.0° | 120.0° |
C9 | C10 | H18 | H20 | 120.0° | 120.0° |
C9 | C10 | H19 | H20 | 120.0° | 120.1° |
H1 | C2 | C3 | H3 | 179.0° | 175.0° |
H2 | C2 | C3 | H3 | 62.6° | 65.0° |
H3 | C3 | C4 | H4 | 172.5° | 175.0° |
H3 | C3 | C4 | H5 | 68.2° | 65.0° |
H3 | C3 | O14 | H10 | 59.7° | 180.0° |
H4 | C4 | C5 | H6 | 172.6° | 180.0° |
H4 | C4 | C5 | H7 | 53.4° | 60.1° |
H5 | C4 | C5 | H6 | 68.1° | 60.0° |
H5 | C4 | C5 | H7 | 172.7° | 180.0° |
H6 | C5 | C6 | H8 | 169.2° | 180.0° |
H6 | C5 | C6 | H9 | 49.0° | 60.0° |
H7 | C5 | C6 | H8 | 71.6° | 60.0° |
H7 | C5 | C6 | H9 | 168.2° | 180.0° |
H8 | C6 | C7 | H12 | 169.7° | 180.0° |
H8 | C6 | C7 | H13 | 51.2° | 60.1° |
H9 | C6 | C7 | H12 | 70.0° | 60.1° |
H9 | C6 | C7 | H13 | 171.4° | NaN° |
H12 | C7 | C8 | H14 | 161.8° | 180.0° |
H12 | C7 | C8 | H15 | 77.0° | 60.0° |
H13 | C7 | C8 | H14 | 43.2° | 60.0° |
H13 | C7 | C8 | H15 | 164.5° | 180.0° |
H14 | C8 | C9 | H16 | 158.3° | 180.0° |
H14 | C8 | C9 | H17 | 82.7° | 60.0° |
H15 | C8 | C9 | H16 | 37.1° | 59.9° |
H15 | C8 | C9 | H17 | 156.1° | 180.0° |
H16 | C9 | C10 | H18 | 59.5° | 60.1° |
H16 | C9 | C10 | H19 | 179.5° | 180.0° |
H16 | C9 | C10 | H20 | 60.5° | 60.0° |
H17 | C9 | C10 | H18 | 59.5° | 59.9° |
H17 | C9 | C10 | H19 | 60.5° | 60.0° |
H17 | C9 | C10 | H20 | 179.5° | 180.0° |
H18 | C10 | H19 | H20 | 120.0° | 120.0° |