6O5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAI | doub | 1.21Å | 1.25Å | |
CAI | OAB | sing | 1.34Å | 1.25Å | |
CAI | CAF | sing | 1.51Å | 1.53Å | |
CAF | CAG | sing | 1.53Å | 1.52Å | |
CAG | CAJ | sing | 1.51Å | 1.52Å | |
CAE | CAJ | doub | 1.35Å | 1.33Å | Aromatic |
CAE | CAC | sing | 1.41Å | 1.33Å | Aromatic |
CAJ | OAH | sing | 1.34Å | 1.36Å | Aromatic |
CAC | CAD | doub | 1.35Å | 1.33Å | Aromatic |
OAH | CAD | sing | 1.34Å | 1.37Å | Aromatic |
CAE | H1 | sing | 1.08Å | 1.08Å | |
CAC | H2 | sing | 1.08Å | 1.08Å | |
CAD | H3 | sing | 1.08Å | 1.08Å | |
CAG | H4 | sing | 1.09Å | 1.10Å | |
CAG | H5 | sing | 1.09Å | 1.10Å | |
CAF | H6 | sing | 1.09Å | 1.10Å | |
CAF | H7 | sing | 1.09Å | 1.10Å | |
OAB | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAI | OAB | 126.6° | 120.0° |
OAA | CAI | CAF | 116.9° | 120.0° |
OAB | CAI | CAF | 116.5° | 120.0° |
CAI | OAB | H8 | 109.5° | 117.1° |
CAI | CAF | CAG | 110.1° | 109.5° |
CAI | CAF | H6 | 109.3° | 109.4° |
CAI | CAF | H7 | 109.3° | 109.4° |
CAF | CAG | CAJ | 110.4° | 109.5° |
CAF | CAG | H4 | 109.2° | 109.5° |
CAF | CAG | H5 | 109.2° | 109.5° |
CAG | CAF | H6 | 109.3° | 109.5° |
CAG | CAF | H7 | 109.3° | 109.5° |
CAG | CAJ | CAE | 127.9° | 125.8° |
CAG | CAJ | OAH | 122.8° | 125.8° |
CAJ | CAG | H4 | 109.2° | 109.4° |
CAJ | CAG | H5 | 109.2° | 109.4° |
CAJ | CAE | CAC | 108.0° | 106.9° |
CAE | CAJ | OAH | 109.3° | 108.4° |
CAJ | CAE | H1 | 126.0° | 126.6° |
CAE | CAC | CAD | 108.9° | 106.8° |
CAC | CAE | H1 | 126.0° | 126.5° |
CAE | CAC | H2 | 125.5° | 126.6° |
CAJ | OAH | CAD | 105.5° | 109.5° |
CAC | CAD | OAH | 108.2° | 108.4° |
CAD | CAC | H2 | 125.6° | 126.6° |
CAC | CAD | H3 | 125.9° | 125.8° |
OAH | CAD | H3 | 125.9° | 125.8° |
H4 | CAG | H5 | 109.5° | 109.5° |
H6 | CAF | H7 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAI | OAB | CAF | 179.7° | 179.9° |
OAA | CAI | CAF | CAG | 88.6° | 0.0° |
OAA | CAI | CAF | H6 | 151.3° | 120.0° |
OAA | CAI | CAF | H7 | 31.5° | 120.0° |
OAA | CAI | OAB | H8 | 0.0° | 0.1° |
OAB | CAI | CAF | CAG | 91.1° | 180.0° |
OAB | CAI | CAF | H6 | 29.0° | 60.0° |
OAB | CAI | CAF | H7 | 148.8° | 60.0° |
CAI | CAF | CAG | H6 | 120.1° | 120.0° |
CAI | CAF | CAG | H7 | 120.1° | 120.0° |
CAI | CAF | CAG | CAJ | 132.7° | 180.0° |
CAI | CAF | CAG | H4 | 12.5° | 60.0° |
CAI | CAF | CAG | H5 | 107.2° | 60.0° |
CAI | CAF | H6 | H7 | 119.7° | 120.0° |
CAF | CAI | OAB | H8 | 179.7° | 180.0° |
CAF | CAG | CAJ | H4 | 120.2° | 120.0° |
CAF | CAG | CAJ | H5 | 120.1° | 120.0° |
CAF | CAG | CAJ | CAE | 107.5° | 90.0° |
CAF | CAG | CAJ | OAH | 72.4° | 90.0° |
CAF | CAG | H4 | H5 | 119.6° | 120.1° |
CAG | CAF | H6 | H7 | 119.7° | 120.1° |
CAG | CAJ | CAE | OAH | 179.9° | 179.9° |
CAG | CAJ | CAE | CAC | 179.8° | 180.0° |
CAG | CAJ | OAH | CAD | 179.7° | 179.9° |
CAG | CAJ | CAE | H1 | 0.2° | 0.4° |
CAJ | CAG | H4 | H5 | 119.6° | 120.0° |
CAJ | CAG | CAF | H6 | 107.3° | 60.0° |
CAJ | CAG | CAF | H7 | 12.6° | 60.0° |
CAJ | CAE | CAC | H1 | 180.0° | 179.6° |
CAJ | CAE | CAC | CAD | 0.1° | 0.1° |
CAE | CAJ | OAH | CAD | 0.2° | 0.0° |
CAJ | CAE | CAC | H2 | 179.9° | 180.0° |
CAE | CAJ | CAG | H4 | 12.7° | 150.0° |
CAE | CAJ | CAG | H5 | 132.4° | 30.1° |
CAC | CAE | CAJ | OAH | 0.1° | 0.0° |
CAE | CAC | CAD | H2 | 180.0° | 179.9° |
CAE | CAC | CAD | OAH | 0.2° | 0.1° |
CAE | CAC | CAD | H3 | 179.8° | 180.0° |
CAJ | OAH | CAD | CAC | 0.2° | 0.1° |
OAH | CAJ | CAE | H1 | 179.9° | 179.6° |
CAJ | OAH | CAD | H3 | 179.8° | 180.0° |
OAH | CAJ | CAG | H4 | 167.4° | 30.0° |
OAH | CAJ | CAG | H5 | 47.7° | 150.0° |
CAC | CAD | OAH | H3 | 180.0° | 179.9° |
CAD | CAC | CAE | H1 | 179.9° | 179.7° |
OAH | CAD | CAC | H2 | 179.8° | 180.0° |
H1 | CAE | CAC | H2 | 0.1° | 0.4° |
H2 | CAC | CAD | H3 | 0.2° | 0.1° |
H4 | CAG | CAF | H6 | 132.6° | 180.0° |
H4 | CAG | CAF | H7 | 107.6° | 60.0° |
H5 | CAG | CAF | H6 | 12.9° | 60.0° |
H5 | CAG | CAF | H7 | 132.7° | 180.0° |