C4O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | CAH | sing | 1.74Å | 1.76Å | |
| CAH | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAF | sing | 1.38Å | 1.35Å | Aromatic |
| CAG | CAD | sing | 1.38Å | 1.41Å | Aromatic |
| CAF | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAD | CAB | doub | 1.38Å | 1.37Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.42Å | Aromatic |
| CAB | CAE | sing | 1.51Å | 1.50Å | |
| CAE | H1 | sing | 1.09Å | 1.10Å | |
| CAE | H2 | sing | 1.09Å | 1.10Å | |
| CAE | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CAH | CAG | 119.7° | 120.0° |
| CL | CAH | CAF | 115.5° | 120.0° |
| CAG | CAH | CAF | 124.8° | 120.0° |
| CAH | CAG | CAD | 117.4° | 120.0° |
| CAH | CAG | H6 | 121.3° | 120.0° |
| CAH | CAF | CAC | 115.4° | 120.0° |
| CAH | CAF | H5 | 122.3° | 120.0° |
| CAG | CAD | CAB | 121.9° | 120.0° |
| CAD | CAG | H6 | 121.3° | 120.0° |
| CAG | CAD | H7 | 119.1° | 120.0° |
| CAF | CAC | CAB | 124.5° | 120.0° |
| CAF | CAC | H4 | 117.7° | 120.0° |
| CAC | CAF | H5 | 122.3° | 120.0° |
| CAD | CAB | CAC | 115.8° | 120.0° |
| CAD | CAB | CAE | 121.0° | 120.0° |
| CAB | CAD | H7 | 119.0° | 120.0° |
| CAC | CAB | CAE | 123.1° | 120.0° |
| CAB | CAC | H4 | 117.7° | 120.0° |
| CAB | CAE | H1 | 109.5° | 109.5° |
| CAB | CAE | H2 | 109.4° | 109.5° |
| CAB | CAE | H3 | 109.5° | 109.5° |
| H1 | CAE | H2 | 109.5° | 109.4° |
| H1 | CAE | H3 | 109.4° | 109.5° |
| H2 | CAE | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CAH | CAG | CAF | 178.2° | 179.8° |
| CL | CAH | CAG | CAD | 177.7° | 180.0° |
| CL | CAH | CAF | CAC | 179.2° | 179.8° |
| CL | CAH | CAF | H5 | 0.8° | 0.2° |
| CL | CAH | CAG | H6 | 2.3° | 0.2° |
| CAH | CAG | CAD | H6 | 180.0° | 179.7° |
| CAG | CAH | CAF | CAC | 0.9° | 0.0° |
| CAH | CAG | CAD | CAB | 0.4° | 0.5° |
| CAG | CAH | CAF | H5 | 179.1° | 180.0° |
| CAH | CAG | CAD | H7 | 179.7° | 180.0° |
| CAF | CAH | CAG | CAD | 0.5° | 0.2° |
| CAH | CAF | CAC | H5 | 180.0° | 179.9° |
| CAH | CAF | CAC | CAB | 3.4° | 0.0° |
| CAH | CAF | CAC | H4 | 176.6° | 180.0° |
| CAF | CAH | CAG | H6 | 179.5° | 180.0° |
| CAG | CAD | CAB | H7 | 180.0° | 179.4° |
| CAG | CAD | CAB | CAC | 2.5° | 0.5° |
| CAG | CAD | CAB | CAE | 178.1° | 179.7° |
| CAF | CAC | CAB | CAD | 4.1° | 0.2° |
| CAF | CAC | CAB | H4 | 180.0° | 180.0° |
| CAF | CAC | CAB | CAE | 179.6° | 180.0° |
| CAD | CAB | CAC | CAE | 175.5° | 179.8° |
| CAD | CAB | CAE | H1 | 92.3° | 90.3° |
| CAD | CAB | CAE | H2 | 147.7° | 29.7° |
| CAD | CAB | CAE | H3 | 27.7° | 149.7° |
| CAD | CAB | CAC | H4 | 175.8° | 179.8° |
| CAB | CAD | CAG | H6 | 179.6° | 179.8° |
| CAC | CAB | CAE | H1 | 92.5° | 90.0° |
| CAC | CAB | CAE | H2 | 27.5° | 150.0° |
| CAC | CAB | CAE | H3 | 147.5° | 30.0° |
| CAB | CAC | CAF | H5 | 176.6° | 180.0° |
| CAC | CAB | CAD | H7 | 177.5° | 180.0° |
| CAB | CAE | H1 | H2 | 120.0° | 120.0° |
| CAB | CAE | H1 | H3 | 120.0° | 120.0° |
| CAB | CAE | H2 | H3 | 120.0° | 120.0° |
| CAE | CAB | CAC | H4 | 0.4° | 0.0° |
| CAE | CAB | CAD | H7 | 2.0° | 0.3° |
| H1 | CAE | H2 | H3 | 120.0° | 120.0° |
| H4 | CAC | CAF | H5 | 3.4° | 0.0° |
| H6 | CAG | CAD | H7 | 0.3° | 0.3° |
