E5X
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAJ | sing | 1.43Å | 1.43Å | |
CAJ | CAD | sing | 1.51Å | 1.39Å | |
CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAH | CAE | sing | 1.40Å | 1.39Å | Aromatic |
CAD | CAG | doub | 1.38Å | 1.39Å | Aromatic |
OAC | CAK | doub | 1.21Å | 1.25Å | |
CAE | CAK | sing | 1.48Å | 1.39Å | |
CAE | CAI | doub | 1.40Å | 1.39Å | Aromatic |
CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
CAK | OAB | sing | 1.35Å | 1.25Å | |
CAF | H1 | sing | 1.08Å | 1.08Å | |
CAG | H2 | sing | 1.08Å | 1.08Å | |
CAH | H3 | sing | 1.08Å | 1.08Å | |
CAI | H4 | sing | 1.08Å | 1.08Å | |
CAJ | H5 | sing | 1.09Å | 1.10Å | |
CAJ | H6 | sing | 1.09Å | 1.10Å | |
OAA | H7 | sing | 0.97Å | 0.95Å | |
OAB | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAJ | CAD | 108.5° | 109.5° |
OAA | CAJ | H5 | 109.7° | 109.5° |
OAA | CAJ | H6 | 109.7° | 109.5° |
CAJ | OAA | H7 | 109.5° | 114.0° |
CAJ | CAD | CAF | 119.2° | 119.9° |
CAJ | CAD | CAG | 120.6° | 119.8° |
CAD | CAJ | H5 | 109.7° | 109.4° |
CAD | CAJ | H6 | 109.7° | 109.5° |
CAH | CAF | CAD | 120.0° | 120.1° |
CAF | CAH | CAE | 120.0° | 119.9° |
CAH | CAF | H1 | 120.0° | 119.9° |
CAF | CAH | H3 | 120.0° | 120.1° |
CAF | CAD | CAG | 120.2° | 120.3° |
CAD | CAF | H1 | 120.0° | 120.0° |
CAH | CAE | CAK | 119.2° | 120.2° |
CAH | CAE | CAI | 120.1° | 119.7° |
CAE | CAH | H3 | 120.0° | 120.1° |
CAD | CAG | CAI | 119.7° | 120.1° |
CAD | CAG | H2 | 120.1° | 120.0° |
OAC | CAK | CAE | 119.8° | 120.0° |
OAC | CAK | OAB | 120.1° | 120.0° |
CAK | CAE | CAI | 120.7° | 120.2° |
CAE | CAK | OAB | 120.1° | 120.0° |
CAE | CAI | CAG | 120.0° | 119.8° |
CAE | CAI | H4 | 120.0° | 120.1° |
CAI | CAG | H2 | 120.2° | 119.9° |
CAG | CAI | H4 | 120.0° | 120.1° |
CAK | OAB | H8 | 109.5° | 117.0° |
H5 | CAJ | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAJ | CAD | H5 | 119.9° | 120.0° |
OAA | CAJ | CAD | H6 | 119.8° | 120.0° |
OAA | CAJ | CAD | CAF | 29.7° | 89.7° |
OAA | CAJ | CAD | CAG | 150.1° | 90.0° |
OAA | CAJ | H5 | H6 | 120.4° | 120.0° |
CAJ | CAD | CAF | CAH | 179.9° | 179.7° |
CAJ | CAD | CAF | CAG | 179.8° | 179.7° |
CAJ | CAD | CAG | CAI | 179.9° | 179.7° |
CAJ | CAD | CAF | H1 | 0.1° | 0.3° |
CAJ | CAD | CAG | H2 | 0.1° | 0.3° |
CAD | CAJ | H5 | H6 | 120.5° | 120.0° |
CAD | CAJ | OAA | H7 | 180.0° | 179.9° |
CAH | CAF | CAD | H1 | 180.0° | 180.0° |
CAF | CAH | CAE | H3 | 180.0° | 180.0° |
CAH | CAF | CAD | CAG | 0.1° | 0.0° |
CAF | CAH | CAE | CAK | 179.8° | 180.0° |
CAF | CAH | CAE | CAI | 0.1° | 0.0° |
CAD | CAF | CAH | CAE | 0.0° | 0.0° |
CAF | CAD | CAG | CAI | 0.1° | 0.0° |
CAF | CAD | CAG | H2 | 179.9° | 180.0° |
CAD | CAF | CAH | H3 | 180.0° | 180.0° |
CAF | CAD | CAJ | H5 | 90.2° | 30.2° |
CAF | CAD | CAJ | H6 | 149.5° | 150.3° |
CAH | CAE | CAK | OAC | 17.5° | 180.0° |
CAH | CAE | CAK | CAI | 179.7° | 180.0° |
CAH | CAE | CAI | CAG | 0.1° | 0.0° |
CAH | CAE | CAK | OAB | 163.0° | 0.1° |
CAE | CAH | CAF | H1 | 180.0° | 180.0° |
CAH | CAE | CAI | H4 | 179.9° | 180.0° |
CAD | CAG | CAI | CAE | 0.0° | 0.0° |
CAD | CAG | CAI | H2 | 180.0° | 180.0° |
CAG | CAD | CAF | H1 | 179.9° | 180.0° |
CAD | CAG | CAI | H4 | 180.0° | 180.0° |
CAG | CAD | CAJ | H5 | 90.0° | 150.1° |
CAG | CAD | CAJ | H6 | 30.3° | 30.0° |
OAC | CAK | CAE | OAB | 179.5° | 179.9° |
OAC | CAK | CAE | CAI | 162.1° | 0.0° |
OAC | CAK | OAB | H8 | 0.0° | 0.1° |
CAK | CAE | CAI | CAG | 179.8° | 180.0° |
CAK | CAE | CAH | H3 | 0.2° | 0.0° |
CAK | CAE | CAI | H4 | 0.2° | 0.0° |
CAE | CAK | OAB | H8 | 179.5° | 180.0° |
CAE | CAI | CAG | H4 | 180.0° | 180.0° |
CAI | CAE | CAK | OAB | 17.3° | 180.0° |
CAE | CAI | CAG | H2 | 180.0° | 180.0° |
CAI | CAE | CAH | H3 | 179.9° | 179.9° |
H1 | CAF | CAH | H3 | 0.0° | 0.0° |
H2 | CAG | CAI | H4 | 0.0° | 0.0° |
H5 | CAJ | OAA | H7 | 60.1° | 60.0° |
H6 | CAJ | OAA | H7 | 60.1° | 60.1° |