QFP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C11 | O12 | sing | 1.43Å | 1.39Å | |
C11 | C10 | sing | 1.53Å | 1.57Å | |
O7 | B3 | sing | 1.42Å | 1.48Å | |
C10 | O6 | sing | 1.43Å | 1.43Å | |
B3 | O6 | sing | 1.42Å | 1.47Å | |
B3 | C1 | sing | 1.57Å | 1.57Å | |
C2 | C1 | doub | 1.39Å | 1.43Å | Aromatic |
C2 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
C1 | C4 | sing | 1.39Å | 1.44Å | Aromatic |
C5 | C9 | doub | 1.38Å | 1.44Å | Aromatic |
C4 | C8 | doub | 1.38Å | 1.45Å | Aromatic |
C9 | C8 | sing | 1.38Å | 1.43Å | Aromatic |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C8 | H3 | sing | 1.08Å | 1.08Å | |
C10 | H4 | sing | 1.09Å | 1.10Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C9 | H6 | sing | 1.08Å | 1.08Å | |
C2 | H7 | sing | 1.08Å | 1.08Å | |
O7 | H8 | sing | 0.97Å | 0.95Å | |
C11 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.09Å | 1.10Å | |
O12 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O12 | C11 | C10 | 103.5° | 109.5° |
O12 | C11 | H9 | 110.9° | 109.5° |
O12 | C11 | H10 | 111.0° | 109.4° |
C11 | O12 | H11 | 109.5° | 114.1° |
C11 | C10 | O6 | 112.8° | 109.5° |
C11 | C10 | H4 | 108.6° | 109.4° |
C11 | C10 | H5 | 108.6° | 109.4° |
C10 | C11 | H9 | 110.9° | 109.5° |
C10 | C11 | H10 | 110.9° | 109.5° |
O7 | B3 | O6 | 108.9° | 120.0° |
O7 | B3 | C1 | 115.3° | 120.0° |
B3 | O7 | H8 | 109.5° | 114.0° |
C10 | O6 | B3 | 120.9° | 114.0° |
O6 | C10 | H4 | 108.6° | 109.5° |
O6 | C10 | H5 | 108.6° | 109.5° |
O6 | B3 | C1 | 114.1° | 120.0° |
B3 | C1 | C2 | 123.4° | 120.1° |
B3 | C1 | C4 | 118.5° | 120.1° |
C1 | C2 | C5 | 123.6° | 119.9° |
C2 | C1 | C4 | 117.8° | 119.8° |
C1 | C2 | H7 | 118.2° | 120.1° |
C2 | C5 | C9 | 117.9° | 120.2° |
C2 | C5 | H2 | 121.1° | 119.9° |
C5 | C2 | H7 | 118.2° | 120.1° |
C1 | C4 | C8 | 119.8° | 119.9° |
C1 | C4 | H1 | 120.1° | 120.0° |
C5 | C9 | C8 | 119.9° | 120.2° |
C9 | C5 | H2 | 121.1° | 119.9° |
C5 | C9 | H6 | 120.1° | 119.9° |
C4 | C8 | C9 | 121.0° | 120.1° |
C8 | C4 | H1 | 120.1° | 120.1° |
C4 | C8 | H3 | 119.5° | 119.9° |
C9 | C8 | H3 | 119.5° | 119.9° |
C8 | C9 | H6 | 120.1° | 119.9° |
H4 | C10 | H5 | 109.5° | 109.5° |
H9 | C11 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | C11 | C10 | H9 | 119.0° | 120.0° |
O12 | C11 | C10 | H10 | 119.1° | 119.9° |
O12 | C11 | C10 | O6 | 68.2° | 65.0° |
O12 | C11 | C10 | H4 | 171.3° | 55.0° |
O12 | C11 | C10 | H5 | 52.3° | 175.0° |
O12 | C11 | H9 | H10 | 122.8° | 119.9° |
C11 | C10 | O6 | H4 | 120.5° | 120.0° |
C11 | C10 | O6 | H5 | 120.5° | 120.0° |
C11 | C10 | O6 | B3 | 107.4° | 180.0° |
C11 | C10 | H4 | H5 | 118.5° | 119.9° |
C10 | C11 | H9 | H10 | 122.7° | 120.1° |
C10 | C11 | O12 | H11 | 180.0° | 180.0° |
O7 | B3 | O6 | C10 | 41.2° | 0.0° |
O7 | B3 | O6 | C1 | 130.4° | 180.0° |
O7 | B3 | C1 | C2 | 32.4° | 0.0° |
O7 | B3 | C1 | C4 | 154.1° | 179.5° |
C10 | O6 | B3 | C1 | 89.2° | 180.0° |
O6 | C10 | H4 | H5 | 118.5° | 120.1° |
O6 | C10 | C11 | H9 | 50.8° | 175.0° |
O6 | C10 | C11 | H10 | 172.7° | 55.0° |
O6 | B3 | C1 | C2 | 159.5° | 180.0° |
O6 | B3 | C1 | C4 | 27.0° | 0.6° |
B3 | O6 | C10 | H4 | 13.1° | 60.0° |
B3 | O6 | C10 | H5 | 132.1° | 60.0° |
O6 | B3 | O7 | H8 | 180.0° | 180.0° |
B3 | C1 | C2 | C4 | 173.5° | 179.5° |
B3 | C1 | C2 | C5 | 176.4° | 180.0° |
B3 | C1 | C4 | C8 | 175.7° | 179.4° |
B3 | C1 | C4 | H1 | 4.3° | 0.3° |
B3 | C1 | C2 | H7 | 3.5° | 0.6° |
C1 | B3 | O7 | H8 | 50.4° | 0.1° |
C1 | C2 | C5 | H7 | 180.0° | 179.4° |
C1 | C2 | C5 | C9 | 2.2° | 0.9° |
C2 | C1 | C4 | C8 | 1.9° | 0.1° |
C2 | C1 | C4 | H1 | 178.1° | 179.7° |
C1 | C2 | C5 | H2 | 177.8° | 179.8° |
C5 | C2 | C1 | C4 | 3.0° | 0.5° |
C2 | C5 | C9 | H2 | 180.0° | 179.4° |
C2 | C5 | C9 | C8 | 0.4° | 0.6° |
C2 | C5 | C9 | H6 | 179.6° | 179.4° |
C1 | C4 | C8 | H1 | 180.0° | 179.6° |
C1 | C4 | C8 | C9 | 0.2° | 0.4° |
C1 | C4 | C8 | H3 | 179.8° | 179.7° |
C4 | C1 | C2 | H7 | 177.0° | 180.0° |
C5 | C9 | C8 | C4 | 0.5° | 0.0° |
C5 | C9 | C8 | H6 | 180.0° | 180.0° |
C5 | C9 | C8 | H3 | 179.5° | 179.9° |
C9 | C5 | C2 | H7 | 177.7° | 179.7° |
C4 | C8 | C9 | H3 | 180.0° | 179.9° |
C4 | C8 | C9 | H6 | 179.5° | 180.0° |
C9 | C8 | C4 | H1 | 179.7° | 180.0° |
C8 | C9 | C5 | H2 | 179.6° | 180.0° |
H1 | C4 | C8 | H3 | 0.3° | 0.1° |
H2 | C5 | C9 | H6 | 0.4° | 0.0° |
H2 | C5 | C2 | H7 | 2.3° | 0.3° |
H3 | C8 | C9 | H6 | 0.5° | 0.1° |
H4 | C10 | C11 | H9 | 69.6° | 65.0° |
H4 | C10 | C11 | H10 | 52.3° | 174.9° |
H5 | C10 | C11 | H9 | 171.3° | 55.0° |
H5 | C10 | C11 | H10 | 66.8° | 65.1° |
H9 | C11 | O12 | H11 | 60.9° | 59.9° |
H10 | C11 | O12 | H11 | 61.0° | 60.0° |