FNP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C8 | sing | 1.51Å | 1.31Å | |
C1 | F1 | sing | 1.40Å | 1.47Å | |
C1 | F2 | sing | 1.40Å | 1.30Å | |
C1 | P1 | sing | 1.82Å | 1.87Å | |
C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
C2 | C11 | sing | 1.36Å | 1.41Å | Aromatic |
C2 | C12 | sing | 1.51Å | 1.32Å | |
C3 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
C3 | HC3 | sing | 1.08Å | 1.08Å | |
C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
C4 | HC4 | sing | 1.08Å | 1.08Å | |
C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
C5 | C10 | sing | 1.42Å | 1.42Å | Aromatic |
C6 | C7 | doub | 1.36Å | 1.37Å | Aromatic |
C6 | HC6 | sing | 1.08Å | 1.08Å | |
C7 | C8 | sing | 1.39Å | 1.36Å | Aromatic |
C7 | HC7 | sing | 1.08Å | 1.08Å | |
C8 | C9 | doub | 1.36Å | 1.42Å | Aromatic |
C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
C9 | HC9 | sing | 1.08Å | 1.08Å | |
C10 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | F3 | sing | 1.40Å | 1.48Å | |
C12 | F4 | sing | 1.40Å | 1.31Å | |
C12 | P2 | sing | 1.82Å | 1.85Å | |
P1 | OP1 | doub | 1.48Å | 1.48Å | |
P1 | OP2 | sing | 1.61Å | 1.49Å | |
P1 | OP3 | sing | 1.61Å | 1.49Å | |
OP2 | HO2 | sing | 0.97Å | 0.95Å | |
OP3 | HO3 | sing | 0.97Å | 0.95Å | |
P2 | OP4 | doub | 1.48Å | 1.49Å | |
P2 | OP5 | sing | 1.61Å | 1.48Å | |
P2 | OP6 | sing | 1.61Å | 1.49Å | |
OP5 | HO5 | sing | 0.97Å | 0.95Å | |
OP6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8 | C1 | F1 | 111.5° | 109.5° |
C8 | C1 | F2 | 110.9° | 109.5° |
C8 | C1 | P1 | 122.3° | 109.5° |
C1 | C8 | C7 | 117.3° | 119.5° |
C1 | C8 | C9 | 118.3° | 119.5° |
F1 | C1 | F2 | 109.1° | 109.5° |
F1 | C1 | P1 | 89.6° | 109.5° |
F2 | C1 | P1 | 111.2° | 109.5° |
C1 | P1 | OP1 | 111.1° | 109.5° |
C1 | P1 | OP2 | 110.5° | 109.5° |
C1 | P1 | OP3 | 111.6° | 109.5° |
C3 | C2 | C11 | 117.8° | 120.9° |
C3 | C2 | C12 | 118.2° | 119.5° |
C2 | C3 | C4 | 122.4° | 121.0° |
C2 | C3 | HC3 | 118.8° | 119.5° |
C11 | C2 | C12 | 121.7° | 119.5° |
C2 | C11 | C10 | 121.4° | 119.7° |
C2 | C11 | H11 | 119.3° | 120.1° |
C2 | C12 | F3 | 112.0° | 109.5° |
C2 | C12 | F4 | 112.2° | 109.4° |
C2 | C12 | P2 | 121.7° | 109.5° |
C4 | C3 | HC3 | 118.8° | 119.5° |
C3 | C4 | C5 | 120.0° | 119.7° |
C3 | C4 | HC4 | 120.0° | 120.2° |
C5 | C4 | HC4 | 120.0° | 120.2° |
C4 | C5 | C6 | 120.9° | 121.3° |
C4 | C5 | C10 | 119.4° | 119.4° |
C6 | C5 | C10 | 119.6° | 119.3° |
C5 | C6 | C7 | 120.2° | 119.7° |
C5 | C6 | HC6 | 119.9° | 120.1° |
C5 | C10 | C9 | 118.9° | 119.4° |
C5 | C10 | C11 | 118.9° | 119.3° |
C7 | C6 | HC6 | 119.9° | 120.2° |
C6 | C7 | C8 | 121.6° | 121.0° |
C6 | C7 | HC7 | 119.2° | 119.5° |
C8 | C7 | HC7 | 119.2° | 119.5° |
C7 | C8 | C9 | 119.9° | 120.9° |
C8 | C9 | C10 | 119.7° | 119.7° |
C8 | C9 | HC9 | 120.1° | 120.1° |
C10 | C9 | HC9 | 120.1° | 120.2° |
C9 | C10 | C11 | 122.1° | 121.3° |
C10 | C11 | H11 | 119.3° | 120.2° |
F3 | C12 | F4 | 109.1° | 109.4° |
F3 | C12 | P2 | 87.1° | 109.5° |
F4 | C12 | P2 | 111.8° | 109.5° |
C12 | P2 | OP4 | 110.4° | 109.5° |
C12 | P2 | OP5 | 110.9° | 109.5° |
C12 | P2 | OP6 | 110.8° | 109.5° |
OP1 | P1 | OP2 | 108.3° | 109.4° |
OP1 | P1 | OP3 | 107.6° | 109.5° |
OP2 | P1 | OP3 | 107.5° | 109.5° |
P1 | OP2 | HO2 | 109.5° | 106.8° |
P1 | OP3 | HO3 | 109.5° | 106.8° |
OP4 | P2 | OP5 | 107.9° | 109.5° |
OP4 | P2 | OP6 | 108.9° | 109.5° |
OP5 | P2 | OP6 | 107.9° | 109.4° |
P2 | OP5 | HO5 | 109.5° | 106.8° |
P2 | OP6 | HO6 | 109.5° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C8 | C1 | F1 | F2 | 122.8° | 120.0° |
C8 | C1 | F1 | P1 | 124.9° | 120.0° |
C8 | C1 | F2 | P1 | 139.6° | 120.0° |
C1 | C8 | C7 | C6 | 155.6° | 180.0° |
C1 | C8 | C7 | C9 | 155.9° | 179.7° |
C1 | C8 | C7 | HC7 | 24.4° | 0.0° |
C1 | C8 | C9 | C10 | 155.5° | 179.8° |
C1 | C8 | C9 | HC9 | 24.6° | 0.0° |
C8 | C1 | P1 | OP1 | 12.2° | 175.3° |
C8 | C1 | P1 | OP2 | 132.4° | 55.4° |
C8 | C1 | P1 | OP3 | 108.0° | 64.6° |
F1 | C1 | F2 | P1 | 97.2° | 120.0° |
F1 | C1 | C8 | C7 | 152.3° | 151.0° |
F1 | C1 | C8 | C9 | 51.4° | 29.2° |
F1 | C1 | P1 | OP1 | 127.6° | 64.7° |
F1 | C1 | P1 | OP2 | 112.1° | 175.4° |
F1 | C1 | P1 | OP3 | 7.5° | 55.3° |
F2 | C1 | C8 | C7 | 85.9° | 31.0° |
F2 | C1 | C8 | C9 | 70.4° | 149.2° |
F2 | C1 | P1 | OP1 | 122.1° | 55.3° |
F2 | C1 | P1 | OP2 | 1.8° | 64.7° |
F2 | C1 | P1 | OP3 | 117.8° | 175.3° |
P1 | C1 | C8 | C7 | 48.5° | 89.0° |
P1 | C1 | C8 | C9 | 155.2° | 90.8° |
C1 | P1 | OP1 | OP2 | 121.5° | 119.9° |
C1 | P1 | OP1 | OP3 | 122.5° | 120.0° |
C1 | P1 | OP2 | OP3 | 122.0° | 120.0° |
C1 | P1 | OP2 | HO2 | 28.3° | 180.0° |
C1 | P1 | OP3 | HO3 | 37.9° | 60.0° |
C3 | C2 | C11 | C12 | 162.6° | 180.0° |
C2 | C3 | C4 | HC3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.2° | 0.0° |
C2 | C3 | C4 | HC4 | 179.8° | 179.9° |
C3 | C2 | C11 | C10 | 0.1° | 0.0° |
C3 | C2 | C11 | H11 | 179.9° | 180.0° |
C3 | C2 | C12 | F3 | 34.6° | 27.2° |
C3 | C2 | C12 | F4 | 157.7° | 147.1° |
C3 | C2 | C12 | P2 | 66.0° | 92.9° |
C11 | C2 | C3 | C4 | 0.1° | 0.0° |
C11 | C2 | C3 | HC3 | 179.9° | 180.0° |
C2 | C11 | C10 | C5 | 0.2° | 0.0° |
C2 | C11 | C10 | C9 | 179.8° | 179.7° |
C2 | C11 | C10 | H11 | 180.0° | 180.0° |
C11 | C2 | C12 | F3 | 127.9° | 152.8° |
C11 | C2 | C12 | F4 | 4.9° | 32.9° |
C11 | C2 | C12 | P2 | 131.4° | 87.1° |
C12 | C2 | C3 | C4 | 163.2° | 180.0° |
C12 | C2 | C3 | HC3 | 16.9° | 0.0° |
C12 | C2 | C11 | C10 | 162.7° | 180.0° |
C12 | C2 | C11 | H11 | 17.3° | 0.0° |
C2 | C12 | F3 | F4 | 124.8° | 119.9° |
C2 | C12 | F3 | P2 | 123.1° | 120.1° |
C2 | C12 | F4 | P2 | 140.7° | 120.0° |
C2 | C12 | P2 | OP4 | 42.9° | 178.7° |
C2 | C12 | P2 | OP5 | 162.4° | 58.7° |
C2 | C12 | P2 | OP6 | 77.8° | 61.3° |
C3 | C4 | C5 | HC4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 180.0° | 180.0° |
C3 | C4 | C5 | C10 | 0.1° | 0.0° |
HC3 | C3 | C4 | C5 | 179.8° | 180.0° |
HC3 | C3 | C4 | HC4 | 0.2° | 0.1° |
C4 | C5 | C6 | C10 | 179.9° | 180.0° |
C4 | C5 | C6 | C7 | 180.0° | 180.0° |
C4 | C5 | C6 | HC6 | 0.0° | 0.0° |
C4 | C5 | C10 | C9 | 179.9° | 179.8° |
C4 | C5 | C10 | C11 | 0.1° | 0.0° |
HC4 | C4 | C5 | C6 | 0.0° | 0.0° |
HC4 | C4 | C5 | C10 | 179.9° | 179.9° |
C5 | C6 | C7 | HC6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 0.1° | 0.0° |
C5 | C6 | C7 | HC7 | 179.9° | 180.0° |
C6 | C5 | C10 | C9 | 0.2° | 0.3° |
C6 | C5 | C10 | C11 | 179.8° | 180.0° |
C10 | C5 | C6 | C7 | 0.1° | 0.0° |
C10 | C5 | C6 | HC6 | 179.9° | 180.0° |
C5 | C10 | C9 | C8 | 0.0° | 0.5° |
C5 | C10 | C9 | C11 | 179.9° | 179.8° |
C5 | C10 | C9 | HC9 | 180.0° | 179.8° |
C5 | C10 | C11 | H11 | 179.8° | 180.0° |
C6 | C7 | C8 | HC7 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.3° | 0.3° |
HC6 | C6 | C7 | C8 | 179.8° | 180.0° |
HC6 | C6 | C7 | HC7 | 0.1° | 0.0° |
C7 | C8 | C9 | C10 | 0.2° | 0.5° |
C7 | C8 | C9 | HC9 | 179.8° | 179.8° |
HC7 | C7 | C8 | C9 | 179.7° | 179.8° |
C8 | C9 | C10 | HC9 | 180.0° | 179.7° |
C8 | C9 | C10 | C11 | 180.0° | 179.7° |
C9 | C10 | C11 | H11 | 0.2° | 0.3° |
HC9 | C9 | C10 | C11 | 0.0° | 0.0° |
F3 | C12 | F4 | P2 | 94.6° | 120.0° |
F3 | C12 | P2 | OP4 | 71.3° | 61.2° |
F3 | C12 | P2 | OP5 | 48.2° | 178.7° |
F3 | C12 | P2 | OP6 | 168.0° | 58.8° |
F4 | C12 | P2 | OP4 | 179.3° | 58.7° |
F4 | C12 | P2 | OP5 | 61.2° | 61.3° |
F4 | C12 | P2 | OP6 | 58.7° | 178.7° |
C12 | P2 | OP4 | OP5 | 121.4° | 120.0° |
C12 | P2 | OP4 | OP6 | 121.8° | 120.0° |
C12 | P2 | OP5 | OP6 | 121.5° | 120.0° |
C12 | P2 | OP5 | HO5 | 131.1° | 179.9° |
C12 | P2 | OP6 | HO6 | 103.7° | 65.4° |
OP1 | P1 | OP2 | OP3 | 116.0° | 120.0° |
OP1 | P1 | OP2 | HO2 | 150.2° | 60.1° |
OP1 | P1 | OP3 | HO3 | 84.3° | 180.0° |
OP2 | P1 | OP3 | HO3 | 159.2° | 60.0° |
OP3 | P1 | OP2 | HO2 | 93.8° | 60.0° |
OP4 | P2 | OP5 | OP6 | 117.5° | 120.0° |
OP4 | P2 | OP5 | HO5 | 10.1° | 60.0° |
OP4 | P2 | OP6 | HO6 | 134.8° | 174.6° |
OP5 | P2 | OP6 | HO6 | 17.9° | 54.6° |
OP6 | P2 | OP5 | HO5 | 107.4° | 60.0° |