A1CF5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| C03 | O02 | sing | 1.36Å | 1.41Å | |
| C04 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.37Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.37Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C06 | sing | 1.47Å | 1.53Å | |
| O10 | C09 | doub | 1.21Å | 1.38Å | |
| C11 | C09 | sing | 1.51Å | 1.54Å | |
| O12 | C11 | sing | 1.43Å | 1.39Å | |
| O13 | C11 | sing | 1.43Å | 1.40Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| F15 | C14 | sing | 1.40Å | 1.36Å | |
| F16 | C14 | sing | 1.40Å | 1.36Å | |
| F17 | C14 | sing | 1.40Å | 1.36Å | |
| C03 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 114.2° | 117.0° |
| O02 | C01 | H012 | 109.5° | 109.4° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C03 | C04 | 120.6° | 119.9° |
| O02 | C03 | C08 | 119.7° | 119.9° |
| C03 | C04 | C05 | 120.6° | 120.1° |
| C04 | C03 | C08 | 119.7° | 120.2° |
| C03 | C04 | H041 | 119.7° | 120.0° |
| C04 | C05 | C06 | 119.7° | 119.9° |
| C05 | C04 | H041 | 119.7° | 119.9° |
| C04 | C05 | H051 | 120.2° | 120.1° |
| C05 | C06 | C07 | 119.6° | 119.8° |
| C05 | C06 | C09 | 122.2° | 120.1° |
| C06 | C05 | H051 | 120.1° | 120.0° |
| C08 | C07 | C06 | 120.8° | 119.9° |
| C07 | C08 | C03 | 119.7° | 120.1° |
| C08 | C07 | H071 | 119.6° | 120.1° |
| C07 | C08 | H081 | 120.2° | 119.9° |
| C07 | C06 | C09 | 118.2° | 120.1° |
| C06 | C07 | H071 | 119.6° | 120.0° |
| C06 | C09 | O10 | 117.9° | 120.0° |
| C06 | C09 | C11 | 124.9° | 120.0° |
| O10 | C09 | C11 | 117.3° | 120.0° |
| C09 | C11 | O12 | 107.3° | 109.5° |
| C09 | C11 | O13 | 109.6° | 109.5° |
| C09 | C11 | C14 | 114.1° | 109.4° |
| O12 | C11 | O13 | 109.0° | 109.5° |
| O12 | C11 | C14 | 113.1° | 109.5° |
| C11 | O12 | H121 | 109.5° | 114.0° |
| O13 | C11 | C14 | 103.7° | 109.5° |
| C11 | O13 | H131 | 109.5° | 114.0° |
| C11 | C14 | F15 | 107.6° | 109.5° |
| C11 | C14 | F16 | 113.5° | 109.4° |
| C11 | C14 | F17 | 108.4° | 109.5° |
| F15 | C14 | F16 | 109.2° | 109.4° |
| F15 | C14 | F17 | 108.0° | 109.5° |
| F16 | C14 | F17 | 110.0° | 109.4° |
| C03 | C08 | H081 | 120.1° | 120.0° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 171.8° | 0.3° |
| C01 | O02 | C03 | C08 | 8.3° | 180.0° |
| O02 | C01 | H012 | H011 | 120.0° | 120.0° |
| O02 | C01 | H012 | H013 | 120.0° | 120.0° |
| O02 | C01 | H011 | H013 | 120.0° | 120.1° |
| O02 | C03 | C04 | C08 | 179.9° | 179.7° |
| O02 | C03 | C04 | C05 | 179.8° | 180.0° |
| O02 | C03 | C08 | C07 | 180.0° | 179.8° |
| C03 | O02 | C01 | H012 | 180.0° | 60.1° |
| C03 | O02 | C01 | H011 | 60.0° | 59.9° |
| C03 | O02 | C01 | H013 | 60.0° | 180.0° |
| O02 | C03 | C04 | H041 | 0.2° | 0.1° |
| O02 | C03 | C08 | H081 | 0.0° | 0.1° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.0° | 0.0° |
| C04 | C03 | C08 | C07 | 0.1° | 0.5° |
| C03 | C04 | C05 | H051 | 179.1° | 180.0° |
| C04 | C03 | C08 | H081 | 179.9° | 179.8° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 1.4° | 0.0° |
| C04 | C05 | C06 | C09 | 179.6° | 180.0° |
| C05 | C04 | C03 | C08 | 0.3° | 0.3° |
| C05 | C06 | C07 | C08 | 1.2° | 0.3° |
| C05 | C06 | C07 | C09 | 179.0° | 180.0° |
| C05 | C06 | C09 | O10 | 159.8° | 6.0° |
| C05 | C06 | C09 | C11 | 19.3° | 174.0° |
| C06 | C05 | C04 | H041 | 179.0° | 180.0° |
| C05 | C06 | C07 | H071 | 178.7° | 180.0° |
| C08 | C07 | C06 | H071 | 180.0° | 179.8° |
| C08 | C07 | C06 | C09 | 179.7° | 179.8° |
| C07 | C08 | C03 | H081 | 180.0° | 179.7° |
| C07 | C06 | C09 | O10 | 19.3° | 174.0° |
| C07 | C06 | C09 | C11 | 161.7° | 6.0° |
| C06 | C07 | C08 | C03 | 0.6° | 0.5° |
| C07 | C06 | C05 | H051 | 178.6° | 180.0° |
| C06 | C07 | C08 | H081 | 179.4° | 179.8° |
| C06 | C09 | O10 | C11 | 179.1° | 180.0° |
| C06 | C09 | C11 | O12 | 67.9° | 56.1° |
| C06 | C09 | C11 | O13 | 174.0° | 64.0° |
| C06 | C09 | C11 | C14 | 58.2° | 176.0° |
| C09 | C06 | C05 | H051 | 0.4° | 0.0° |
| C09 | C06 | C07 | H071 | 0.3° | 0.0° |
| O10 | C09 | C11 | O12 | 111.2° | 123.9° |
| O10 | C09 | C11 | O13 | 7.0° | 116.1° |
| O10 | C09 | C11 | C14 | 122.7° | 3.9° |
| C09 | C11 | O12 | O13 | 118.6° | 120.0° |
| C09 | C11 | O12 | C14 | 126.7° | 120.0° |
| C09 | C11 | O13 | C14 | 122.2° | 120.0° |
| C09 | C11 | C14 | F15 | 62.1° | 62.7° |
| C09 | C11 | C14 | F16 | 58.9° | 177.4° |
| C09 | C11 | C14 | F17 | 178.7° | 57.4° |
| C09 | C11 | O12 | H121 | 180.0° | 60.0° |
| C09 | C11 | O13 | H131 | 3.5° | 60.0° |
| O12 | C11 | O13 | C14 | 120.7° | 120.0° |
| O12 | C11 | C14 | F15 | 174.9° | 57.3° |
| O12 | C11 | C14 | F16 | 64.1° | 62.7° |
| O12 | C11 | C14 | F17 | 58.3° | 177.4° |
| O12 | C11 | O13 | H131 | 113.6° | 180.0° |
| O13 | C11 | C14 | F15 | 57.0° | 177.3° |
| O13 | C11 | C14 | F16 | 178.0° | 57.4° |
| O13 | C11 | C14 | F17 | 59.6° | 62.6° |
| O13 | C11 | O12 | H121 | 61.4° | 180.0° |
| C11 | C14 | F15 | F16 | 123.6° | 120.0° |
| C11 | C14 | F15 | F17 | 116.8° | 120.1° |
| C11 | C14 | F16 | F17 | 121.6° | 120.0° |
| C14 | C11 | O12 | H121 | 53.4° | 59.9° |
| C14 | C11 | O13 | H131 | 125.7° | 60.0° |
| F15 | C14 | F16 | F17 | 118.3° | 120.0° |
| C08 | C03 | C04 | H041 | 179.7° | 179.8° |
| C03 | C08 | C07 | H071 | 179.4° | 179.7° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 1.0° | 0.0° |
| H071 | C07 | C08 | H081 | 0.6° | 0.0° |
