P5O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAS | OAR | sing | 1.43Å | 1.43Å | |
| OAR | CAD | sing | 1.36Å | 1.37Å | |
| OAQ | CAF | sing | 1.36Å | 1.37Å | |
| CAD | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | CAA | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAC | sing | 1.40Å | 1.40Å | Aromatic |
| CAA | CAG | sing | 1.47Å | 1.39Å | |
| CAH | CAG | doub | 1.34Å | 1.54Å | |
| CAH | CAI | sing | 1.47Å | 1.39Å | |
| CAI | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAL | doub | 1.38Å | 1.38Å | Aromatic |
| CAM | OAP | sing | 1.36Å | 1.35Å | |
| CAM | CAN | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | CAN | sing | 1.39Å | 1.38Å | Aromatic |
| CAL | OAO | sing | 1.36Å | 1.36Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAN | H10 | sing | 1.08Å | 1.08Å | |
| CAS | H11 | sing | 1.09Å | 1.10Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAS | H13 | sing | 1.09Å | 1.10Å | |
| OAO | H14 | sing | 0.97Å | 0.95Å | |
| OAP | H15 | sing | 0.97Å | 0.95Å | |
| OAQ | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAS | OAR | CAD | 111.9° | 117.0° |
| OAR | CAS | H11 | 109.5° | 109.5° |
| OAR | CAS | H12 | 109.5° | 109.5° |
| OAR | CAS | H13 | 109.5° | 109.5° |
| OAR | CAD | CAF | 117.0° | 120.0° |
| OAR | CAD | CAB | 122.6° | 120.0° |
| OAQ | CAF | CAD | 117.0° | 119.9° |
| OAQ | CAF | CAE | 122.5° | 119.9° |
| CAF | OAQ | H16 | 109.5° | 114.0° |
| CAF | CAD | CAB | 120.4° | 120.0° |
| CAD | CAF | CAE | 120.5° | 120.1° |
| CAD | CAB | CAA | 119.3° | 119.8° |
| CAD | CAB | H1 | 120.3° | 120.1° |
| CAF | CAE | CAC | 119.1° | 120.2° |
| CAF | CAE | H3 | 120.5° | 119.9° |
| CAB | CAA | CAC | 120.2° | 119.8° |
| CAB | CAA | CAG | 119.7° | 120.1° |
| CAA | CAB | H1 | 120.3° | 120.1° |
| CAE | CAC | CAA | 120.5° | 120.0° |
| CAE | CAC | H2 | 119.8° | 120.0° |
| CAC | CAE | H3 | 120.5° | 119.9° |
| CAC | CAA | CAG | 120.1° | 120.1° |
| CAA | CAC | H2 | 119.8° | 120.0° |
| CAA | CAG | CAH | 116.2° | 119.9° |
| CAA | CAG | H4 | 121.9° | 120.0° |
| CAG | CAH | CAI | 113.4° | 119.9° |
| CAH | CAG | H4 | 121.9° | 120.0° |
| CAG | CAH | H6 | 123.3° | 120.0° |
| CAH | CAI | CAK | 122.0° | 120.1° |
| CAH | CAI | CAJ | 118.0° | 120.2° |
| CAI | CAH | H6 | 123.3° | 120.0° |
| CAK | CAI | CAJ | 120.0° | 119.8° |
| CAI | CAK | CAM | 118.9° | 119.9° |
| CAI | CAK | H9 | 120.6° | 120.1° |
| CAI | CAJ | CAL | 120.6° | 119.9° |
| CAI | CAJ | H8 | 119.7° | 120.0° |
| CAK | CAM | OAP | 121.4° | 120.0° |
| CAK | CAM | CAN | 120.7° | 120.1° |
| CAM | CAK | H9 | 120.6° | 120.0° |
| CAJ | CAL | CAN | 119.9° | 120.1° |
| CAJ | CAL | OAO | 120.4° | 120.0° |
| CAL | CAJ | H8 | 119.7° | 120.1° |
| OAP | CAM | CAN | 117.9° | 119.9° |
| CAM | OAP | H15 | 109.5° | 114.0° |
| CAM | CAN | CAL | 119.9° | 120.2° |
| CAM | CAN | H10 | 120.1° | 119.9° |
| CAN | CAL | OAO | 119.7° | 119.9° |
| CAL | CAN | H10 | 120.0° | 119.9° |
| CAL | OAO | H14 | 109.5° | 114.0° |
| H11 | CAS | H12 | 109.4° | 109.4° |
| H11 | CAS | H13 | 109.5° | 109.4° |
| H12 | CAS | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAS | OAR | CAD | CAF | 172.6° | 180.0° |
| CAS | OAR | CAD | CAB | 7.1° | 0.3° |
| OAR | CAS | H11 | H12 | 120.0° | 120.1° |
| OAR | CAS | H11 | H13 | 120.0° | 120.0° |
| OAR | CAS | H12 | H13 | 120.0° | 120.0° |
| OAR | CAD | CAF | OAQ | 0.2° | 0.4° |
| OAR | CAD | CAF | CAB | 179.7° | 179.7° |
| OAR | CAD | CAF | CAE | 179.6° | 180.0° |
| OAR | CAD | CAB | CAA | 179.8° | 179.7° |
| OAR | CAD | CAB | H1 | 0.2° | 0.2° |
| CAD | OAR | CAS | H11 | 180.0° | 180.0° |
| CAD | OAR | CAS | H12 | 60.0° | 60.0° |
| CAD | OAR | CAS | H13 | 60.0° | 60.1° |
| OAQ | CAF | CAD | CAE | 179.4° | 179.7° |
| OAQ | CAF | CAD | CAB | 179.5° | 179.9° |
| OAQ | CAF | CAE | CAC | 179.6° | 179.8° |
| OAQ | CAF | CAE | H3 | 0.4° | 0.3° |
| CAF | CAD | CAB | CAA | 0.1° | 0.0° |
| CAD | CAF | CAE | CAC | 0.2° | 0.5° |
| CAF | CAD | CAB | H1 | 179.9° | 179.9° |
| CAD | CAF | CAE | H3 | 179.8° | 180.0° |
| CAD | CAF | OAQ | H16 | 180.0° | 90.0° |
| CAB | CAD | CAF | CAE | 0.1° | 0.3° |
| CAD | CAB | CAA | H1 | 180.0° | 179.9° |
| CAD | CAB | CAA | CAC | 0.2° | 0.0° |
| CAD | CAB | CAA | CAG | 179.8° | 179.7° |
| CAF | CAE | CAC | H3 | 180.0° | 179.5° |
| CAF | CAE | CAC | CAA | 0.2° | 0.5° |
| CAF | CAE | CAC | H2 | 179.8° | 179.4° |
| CAE | CAF | OAQ | H16 | 0.6° | 90.3° |
| CAB | CAA | CAC | CAE | 0.0° | 0.2° |
| CAB | CAA | CAC | CAG | 179.9° | 179.8° |
| CAB | CAA | CAG | CAH | 24.0° | 179.7° |
| CAB | CAA | CAC | H2 | 180.0° | 179.7° |
| CAB | CAA | CAG | H4 | 156.0° | 0.2° |
| CAE | CAC | CAA | H2 | 180.0° | 179.9° |
| CAE | CAC | CAA | CAG | 179.9° | 180.0° |
| CAC | CAA | CAG | CAH | 156.0° | 0.1° |
| CAC | CAA | CAB | H1 | 179.8° | 180.0° |
| CAA | CAC | CAE | H3 | 179.8° | 180.0° |
| CAC | CAA | CAG | H4 | 24.0° | 180.0° |
| CAA | CAG | CAH | H4 | 180.0° | 179.9° |
| CAA | CAG | CAH | CAI | 179.9° | 180.0° |
| CAG | CAA | CAB | H1 | 0.2° | 0.2° |
| CAG | CAA | CAC | H2 | 0.0° | 0.0° |
| CAA | CAG | CAH | H6 | 0.1° | 0.1° |
| CAG | CAH | CAI | H6 | 180.0° | 179.9° |
| CAG | CAH | CAI | CAK | 173.7° | 180.0° |
| CAG | CAH | CAI | CAJ | 6.3° | 0.2° |
| CAH | CAI | CAK | CAJ | 179.9° | 179.7° |
| CAH | CAI | CAK | CAM | 179.7° | 180.0° |
| CAH | CAI | CAJ | CAL | 179.9° | 180.0° |
| CAI | CAH | CAG | H4 | 0.1° | 0.1° |
| CAH | CAI | CAJ | H8 | 0.1° | 0.0° |
| CAH | CAI | CAK | H9 | 0.2° | 0.0° |
| CAI | CAK | CAM | H9 | 180.0° | 180.0° |
| CAK | CAI | CAJ | CAL | 0.1° | 0.3° |
| CAI | CAK | CAM | OAP | 180.0° | 180.0° |
| CAI | CAK | CAM | CAN | 0.4° | 0.0° |
| CAK | CAI | CAH | H6 | 6.3° | 0.0° |
| CAK | CAI | CAJ | H8 | 179.9° | 179.7° |
| CAJ | CAI | CAK | CAM | 0.2° | 0.3° |
| CAI | CAJ | CAL | H8 | 180.0° | 180.0° |
| CAI | CAJ | CAL | CAN | 0.1° | 0.0° |
| CAI | CAJ | CAL | OAO | 179.9° | 180.0° |
| CAJ | CAI | CAH | H6 | 173.8° | 179.7° |
| CAJ | CAI | CAK | H9 | 179.8° | 179.7° |
| CAK | CAM | OAP | CAN | 179.6° | 180.0° |
| CAK | CAM | CAN | CAL | 0.4° | 0.3° |
| CAK | CAM | CAN | H10 | 179.5° | 180.0° |
| CAK | CAM | OAP | H15 | 180.0° | 90.0° |
| CAJ | CAL | CAN | CAM | 0.3° | 0.3° |
| CAJ | CAL | CAN | OAO | 179.8° | 180.0° |
| CAJ | CAL | CAN | H10 | 179.7° | 180.0° |
| CAJ | CAL | OAO | H14 | 180.0° | 90.0° |
| OAP | CAM | CAN | CAL | 179.9° | 179.7° |
| OAP | CAM | CAK | H9 | 0.0° | 0.0° |
| OAP | CAM | CAN | H10 | 0.1° | 0.0° |
| CAM | CAN | CAL | H10 | 180.0° | 179.7° |
| CAM | CAN | CAL | OAO | 179.9° | 179.7° |
| CAN | CAM | CAK | H9 | 179.6° | 180.0° |
| CAN | CAM | OAP | H15 | 0.4° | 90.0° |
| CAN | CAL | CAJ | H8 | 179.9° | 180.0° |
| CAN | CAL | OAO | H14 | 0.2° | 90.1° |
| OAO | CAL | CAJ | H8 | 0.1° | 0.0° |
| OAO | CAL | CAN | H10 | 0.1° | 0.0° |
| H2 | CAC | CAE | H3 | 0.2° | 0.0° |
| H4 | CAG | CAH | H6 | 179.9° | 180.0° |
| H11 | CAS | H12 | H13 | 120.0° | 119.9° |
