ROR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5 | C5 | sing | 1.43Å | 1.42Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
O4 | C4 | sing | 1.43Å | 1.42Å | |
C4 | C3 | sing | 1.53Å | 1.54Å | |
O2 | C2 | sing | 1.43Å | 1.42Å | |
C3 | C2 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C1 | C2 | sing | 1.51Å | 1.53Å | |
C1 | O1 | doub | 1.21Å | 1.24Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C5 | C4 | 109.5° | 109.5° |
O5 | C5 | H51 | 109.5° | 109.5° |
O5 | C5 | H52 | 109.4° | 109.4° |
C5 | O5 | HO5 | 109.5° | 114.0° |
C5 | C4 | O4 | 110.1° | 109.4° |
C5 | C4 | C3 | 110.7° | 109.5° |
C4 | C5 | H51 | 109.5° | 109.4° |
C4 | C5 | H52 | 109.5° | 109.5° |
C5 | C4 | H4 | 108.1° | 109.5° |
O4 | C4 | C3 | 110.4° | 109.5° |
O4 | C4 | H4 | 109.4° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C3 | C2 | 113.5° | 109.5° |
C4 | C3 | O3 | 109.2° | 109.4° |
C3 | C4 | H4 | 107.9° | 109.5° |
C4 | C3 | H3 | 107.6° | 109.5° |
O2 | C2 | C3 | 110.1° | 109.5° |
O2 | C2 | C1 | 109.9° | 109.5° |
O2 | C2 | H2 | 109.7° | 109.4° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | O3 | 109.7° | 109.5° |
C3 | C2 | C1 | 110.7° | 109.5° |
C2 | C3 | H3 | 107.6° | 109.5° |
C3 | C2 | H2 | 108.2° | 109.5° |
O3 | C3 | H3 | 109.1° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C2 | C1 | O1 | 120.0° | 120.0° |
C1 | C2 | H2 | 108.2° | 109.4° |
C2 | C1 | H1 | 120.0° | 120.0° |
O1 | C1 | H1 | 120.0° | 120.0° |
H51 | C5 | H52 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C5 | C4 | H51 | 120.0° | 120.0° |
O5 | C5 | C4 | H52 | 120.0° | 120.0° |
O5 | C5 | C4 | O4 | 52.2° | 65.0° |
O5 | C5 | C4 | C3 | 174.6° | 175.0° |
O5 | C5 | H51 | H52 | 119.9° | 120.0° |
O5 | C5 | C4 | H4 | 67.3° | 55.0° |
C5 | C4 | O4 | C3 | 122.6° | 120.0° |
C5 | C4 | O4 | H4 | 118.7° | 120.0° |
C5 | C4 | C3 | H4 | 118.2° | 120.0° |
C5 | C4 | C3 | C2 | 59.0° | 180.0° |
C5 | C4 | C3 | O3 | 178.2° | 60.0° |
C4 | C5 | H51 | H52 | 120.0° | 120.0° |
C4 | C5 | O5 | HO5 | 180.0° | 180.0° |
C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
C5 | C4 | C3 | H3 | 59.9° | 59.9° |
O4 | C4 | C3 | H4 | 119.6° | 120.0° |
O4 | C4 | C3 | C2 | 63.2° | 60.0° |
O4 | C4 | C3 | O3 | 59.5° | 180.0° |
O4 | C4 | C5 | H51 | 172.3° | 175.0° |
O4 | C4 | C5 | H52 | 67.8° | 55.0° |
O4 | C4 | C3 | H3 | 177.9° | 60.0° |
C4 | C3 | C2 | O2 | 35.0° | 60.0° |
C4 | C3 | C2 | O3 | 122.5° | 120.0° |
C4 | C3 | C2 | H3 | 119.0° | 120.1° |
C4 | C3 | O3 | H3 | 117.4° | 120.0° |
C4 | C3 | C2 | C1 | 86.7° | 180.0° |
C3 | C4 | C5 | H51 | 65.3° | 55.0° |
C3 | C4 | C5 | H52 | 54.6° | 65.0° |
C3 | C4 | O4 | HO4 | 57.4° | 60.0° |
C4 | C3 | O3 | HO3 | 180.0° | 60.0° |
C4 | C3 | C2 | H2 | 154.9° | 59.9° |
O2 | C2 | C3 | C1 | 121.7° | 120.0° |
O2 | C2 | C3 | H2 | 119.9° | 120.0° |
O2 | C2 | C3 | O3 | 87.4° | 180.0° |
O2 | C2 | C1 | H2 | 119.8° | 119.9° |
O2 | C2 | C1 | O1 | 62.7° | 0.1° |
O2 | C2 | C3 | H3 | 154.0° | 60.0° |
O2 | C2 | C1 | H1 | 117.3° | 180.0° |
C2 | C3 | O3 | H3 | 117.6° | 120.0° |
C3 | C2 | C1 | H2 | 118.4° | 120.0° |
C3 | C2 | C1 | O1 | 175.5° | 120.0° |
C2 | C3 | C4 | H4 | 177.2° | 60.0° |
C2 | C3 | O3 | HO3 | 55.1° | 60.0° |
C3 | C2 | O2 | HO2 | 145.7° | 60.0° |
C3 | C2 | C1 | H1 | 4.5° | 60.0° |
O3 | C3 | C2 | C1 | 150.9° | 60.0° |
O3 | C3 | C4 | H4 | 60.1° | 60.0° |
O3 | C3 | C2 | H2 | 32.5° | 60.0° |
C2 | C1 | O1 | H1 | 180.0° | 179.9° |
C1 | C2 | C3 | H3 | 32.3° | 60.0° |
C1 | C2 | O2 | HO2 | 23.6° | 60.1° |
O1 | C1 | C2 | H2 | 57.1° | 120.0° |
H51 | C5 | O5 | HO5 | 60.0° | 60.0° |
H51 | C5 | C4 | H4 | 52.7° | 65.0° |
H52 | C5 | O5 | HO5 | 60.0° | 60.1° |
H52 | C5 | C4 | H4 | 172.7° | 175.0° |
H4 | C4 | O4 | HO4 | 61.3° | 180.0° |
H4 | C4 | C3 | H3 | 58.3° | 180.0° |
H3 | C3 | O3 | HO3 | 62.6° | 180.0° |
H3 | C3 | C2 | H2 | 86.1° | 180.0° |
H2 | C2 | O2 | HO2 | 95.4° | 180.0° |
H2 | C2 | C1 | H1 | 122.9° | 60.1° |