QFZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F08 | C05 | sing | 1.35Å | 1.35Å | |
F07 | C06 | sing | 1.35Å | 1.36Å | |
C05 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
C05 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
C06 | C01 | sing | 1.39Å | 1.38Å | Aromatic |
F09 | C04 | sing | 1.35Å | 1.36Å | |
C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
C01 | O12 | sing | 1.36Å | 1.40Å | |
C01 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
C03 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
C03 | F10 | sing | 1.35Å | 1.36Å | |
C02 | F11 | sing | 1.35Å | 1.36Å | |
O12 | H1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F08 | C05 | C06 | 118.1° | 120.0° |
F08 | C05 | C04 | 121.1° | 120.0° |
F07 | C06 | C05 | 118.1° | 120.0° |
F07 | C06 | C01 | 121.8° | 120.0° |
C06 | C05 | C04 | 120.8° | 120.0° |
C05 | C06 | C01 | 120.1° | 120.0° |
C05 | C04 | F09 | 119.9° | 119.9° |
C05 | C04 | C03 | 119.3° | 120.0° |
C06 | C01 | O12 | 120.8° | 120.0° |
C06 | C01 | C02 | 119.3° | 120.0° |
F09 | C04 | C03 | 120.8° | 120.0° |
C04 | C03 | C02 | 120.0° | 120.1° |
C04 | C03 | F10 | 121.2° | 119.9° |
O12 | C01 | C02 | 120.0° | 120.0° |
C01 | O12 | H1 | 109.5° | 114.0° |
C01 | C02 | C03 | 120.5° | 120.0° |
C01 | C02 | F11 | 120.4° | 120.0° |
C02 | C03 | F10 | 118.8° | 120.0° |
C03 | C02 | F11 | 119.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F08 | C05 | C06 | F07 | 0.3° | 0.6° |
F08 | C05 | C06 | C04 | 180.0° | 179.4° |
F08 | C05 | C06 | C01 | 179.7° | 180.0° |
F08 | C05 | C04 | F09 | 0.4° | 0.3° |
F08 | C05 | C04 | C03 | 179.9° | 179.8° |
F07 | C06 | C05 | C01 | 179.4° | 179.4° |
F07 | C06 | C05 | C04 | 179.8° | 180.0° |
F07 | C06 | C01 | O12 | 0.5° | 0.3° |
F07 | C06 | C01 | C02 | 179.8° | 180.0° |
C06 | C05 | C04 | F09 | 179.6° | 179.8° |
C06 | C05 | C04 | C03 | 0.1° | 0.3° |
C05 | C06 | C01 | O12 | 179.9° | 179.7° |
C05 | C06 | C01 | C02 | 0.4° | 0.6° |
C04 | C05 | C06 | C01 | 0.3° | 0.6° |
C05 | C04 | F09 | C03 | 179.7° | 179.9° |
C05 | C04 | C03 | C02 | 0.0° | 0.0° |
C05 | C04 | C03 | F10 | 179.2° | 180.0° |
C06 | C01 | O12 | C02 | 179.7° | 179.7° |
C06 | C01 | C02 | C03 | 0.3° | 0.3° |
C06 | C01 | C02 | F11 | 179.9° | 179.7° |
C06 | C01 | O12 | H1 | 180.0° | 90.3° |
F09 | C04 | C03 | C02 | 179.7° | 179.9° |
F09 | C04 | C03 | F10 | 0.5° | 0.1° |
C04 | C03 | C02 | C01 | 0.1° | 0.0° |
C04 | C03 | C02 | F10 | 179.2° | 180.0° |
C04 | C03 | C02 | F11 | 179.9° | 180.0° |
O12 | C01 | C02 | C03 | 180.0° | 180.0° |
O12 | C01 | C02 | F11 | 0.2° | 0.0° |
C01 | C02 | C03 | F11 | 179.8° | 180.0° |
C01 | C02 | C03 | F10 | 179.4° | 180.0° |
C02 | C01 | O12 | H1 | 0.3° | 90.1° |
F10 | C03 | C02 | F11 | 0.8° | 0.0° |