F6B
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
C01 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
C01 | H01C | sing | 1.08Å | 1.08Å | |
C02 | C03 | sing | 1.38Å | 1.42Å | Aromatic |
C02 | H02C | sing | 1.08Å | 1.08Å | |
C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
C03 | S11 | sing | 1.76Å | 1.80Å | |
C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
C04 | H04C | sing | 1.08Å | 1.08Å | |
C05 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
C05 | H05C | sing | 1.08Å | 1.08Å | |
C06 | C07 | sing | 1.48Å | 1.53Å | |
C07 | O08 | doub | 1.22Å | 1.22Å | |
C07 | N09 | sing | 1.35Å | 1.43Å | |
N09 | C10 | sing | 1.47Å | 1.45Å | |
N09 | H09N | sing | 0.97Å | 1.00Å | |
C10 | C15 | sing | 1.51Å | 1.40Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
S11 | NP2 | sing | 1.66Å | 1.66Å | |
S11 | O13 | doub | 1.42Å | 1.45Å | |
S11 | O14 | doub | 1.42Å | 1.45Å | |
NP2 | HNP1 | sing | 0.97Å | 1.00Å | |
NP2 | HNP2 | sing | 0.97Å | 1.00Å | |
C15 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
C15 | C20 | sing | 1.38Å | 1.45Å | Aromatic |
C16 | C17 | sing | 1.39Å | 1.44Å | Aromatic |
C16 | F21 | sing | 1.35Å | 1.34Å | |
C17 | C18 | doub | 1.38Å | 1.45Å | Aromatic |
C17 | H17C | sing | 1.08Å | 1.08Å | |
C18 | C19 | sing | 1.38Å | 1.44Å | Aromatic |
C18 | H18C | sing | 1.08Å | 1.08Å | |
C19 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
C19 | H19C | sing | 1.08Å | 1.08Å | |
C20 | F22 | sing | 1.35Å | 1.34Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C02 | C01 | C06 | 122.3° | 119.8° |
C02 | C01 | H01C | 118.9° | 120.1° |
C01 | C02 | C03 | 119.1° | 120.1° |
C01 | C02 | H02C | 120.5° | 120.0° |
C06 | C01 | H01C | 118.9° | 120.1° |
C01 | C06 | C05 | 118.0° | 119.8° |
C01 | C06 | C07 | 122.0° | 120.1° |
C03 | C02 | H02C | 120.5° | 119.9° |
C02 | C03 | C04 | 117.9° | 120.3° |
C02 | C03 | S11 | 119.0° | 119.8° |
C04 | C03 | S11 | 123.1° | 119.8° |
C03 | C04 | C05 | 121.5° | 120.1° |
C03 | C04 | H04C | 119.3° | 120.0° |
C03 | S11 | NP2 | 110.3° | 107.2° |
C03 | S11 | O13 | 101.3° | 106.4° |
C03 | S11 | O14 | 103.5° | 106.4° |
C05 | C04 | H04C | 119.2° | 119.9° |
C04 | C05 | C06 | 121.3° | 119.8° |
C04 | C05 | H05C | 119.4° | 120.0° |
C06 | C05 | H05C | 119.3° | 120.1° |
C05 | C06 | C07 | 120.0° | 120.1° |
C06 | C07 | O08 | 114.8° | 120.0° |
C06 | C07 | N09 | 127.6° | 120.0° |
O08 | C07 | N09 | 117.5° | 120.0° |
C07 | N09 | C10 | 114.4° | 120.0° |
C07 | N09 | H09N | 122.8° | 120.0° |
C10 | N09 | H09N | 122.8° | 120.0° |
N09 | C10 | C15 | 121.2° | 109.5° |
N09 | C10 | H101 | 106.5° | 109.5° |
N09 | C10 | H102 | 106.5° | 109.4° |
C15 | C10 | H101 | 106.5° | 109.5° |
C15 | C10 | H102 | 106.5° | 109.5° |
C10 | C15 | C16 | 118.8° | 120.0° |
C10 | C15 | C20 | 119.3° | 120.0° |
H101 | C10 | H102 | 109.5° | 109.5° |
NP2 | S11 | O13 | 117.8° | 106.4° |
NP2 | S11 | O14 | 113.4° | 106.4° |
S11 | NP2 | HNP1 | 109.5° | 120.0° |
S11 | NP2 | HNP2 | 109.4° | 120.0° |
O13 | S11 | O14 | 108.9° | 123.2° |
HNP1 | NP2 | HNP2 | 109.5° | 120.0° |
C16 | C15 | C20 | 121.9° | 120.0° |
C15 | C16 | C17 | 118.1° | 120.0° |
C15 | C16 | F21 | 121.3° | 120.1° |
C15 | C20 | C19 | 119.8° | 120.0° |
C15 | C20 | F22 | 121.7° | 120.0° |
C17 | C16 | F21 | 120.7° | 120.0° |
C16 | C17 | C18 | 119.9° | 120.0° |
C16 | C17 | H17C | 120.0° | 120.1° |
C18 | C17 | H17C | 120.0° | 119.9° |
C17 | C18 | C19 | 121.0° | 120.1° |
C17 | C18 | H18C | 119.5° | 119.9° |
C19 | C18 | H18C | 119.5° | 120.0° |
C18 | C19 | C20 | 119.3° | 120.1° |
C18 | C19 | H19C | 120.3° | 120.0° |
C20 | C19 | H19C | 120.3° | 120.0° |
C19 | C20 | F22 | 118.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C02 | C01 | C06 | H01C | 180.0° | 179.7° |
C01 | C02 | C03 | H02C | 180.0° | 180.0° |
C01 | C02 | C03 | C04 | 0.6° | 0.0° |
C01 | C02 | C03 | S11 | 179.3° | 180.0° |
C02 | C01 | C06 | C05 | 0.0° | 0.1° |
C02 | C01 | C06 | C07 | 179.5° | 179.9° |
C06 | C01 | C02 | C03 | 0.6° | 0.0° |
C06 | C01 | C02 | H02C | 179.4° | 180.0° |
C01 | C06 | C05 | C04 | 0.6° | 0.1° |
C01 | C06 | C05 | C07 | 179.5° | 180.0° |
C01 | C06 | C05 | H05C | 179.4° | 180.0° |
C01 | C06 | C07 | O08 | 179.6° | 0.0° |
C01 | C06 | C07 | N09 | 0.5° | 179.9° |
H01C | C01 | C02 | C03 | 179.4° | 179.7° |
H01C | C01 | C02 | H02C | 0.6° | 0.3° |
H01C | C01 | C06 | C05 | 180.0° | 179.7° |
H01C | C01 | C06 | C07 | 0.5° | 0.3° |
C02 | C03 | C04 | S11 | 179.9° | 179.9° |
C02 | C03 | C04 | C05 | 0.1° | 0.0° |
C02 | C03 | C04 | H04C | 179.9° | 180.0° |
C02 | C03 | S11 | NP2 | 50.3° | 90.0° |
C02 | C03 | S11 | O13 | 175.8° | 156.5° |
C02 | C03 | S11 | O14 | 71.3° | 23.5° |
H02C | C02 | C03 | C04 | 179.4° | 180.0° |
H02C | C02 | C03 | S11 | 0.7° | 0.0° |
C03 | C04 | C05 | H04C | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 0.5° | 0.1° |
C03 | C04 | C05 | H05C | 179.5° | 180.0° |
C04 | C03 | S11 | NP2 | 129.6° | 90.1° |
C04 | C03 | S11 | O13 | 4.0° | 23.5° |
C04 | C03 | S11 | O14 | 108.8° | 156.4° |
S11 | C03 | C04 | C05 | 179.8° | 179.9° |
S11 | C03 | C04 | H04C | 0.2° | 0.1° |
C03 | S11 | NP2 | O13 | 115.6° | 113.5° |
C03 | S11 | NP2 | O14 | 115.5° | 113.6° |
C03 | S11 | O13 | O14 | 108.7° | 123.0° |
C03 | S11 | NP2 | HNP1 | 180.0° | 149.9° |
C03 | S11 | NP2 | HNP2 | 60.0° | 30.0° |
C04 | C05 | C06 | H05C | 180.0° | 179.9° |
C04 | C05 | C06 | C07 | 178.9° | 179.9° |
H04C | C04 | C05 | C06 | 179.5° | 180.0° |
H04C | C04 | C05 | H05C | 0.5° | 0.0° |
C05 | C06 | C07 | O08 | 0.1° | 179.9° |
C05 | C06 | C07 | N09 | 179.0° | 0.0° |
H05C | C05 | C06 | C07 | 1.1° | 0.0° |
C06 | C07 | O08 | N09 | 179.2° | 179.9° |
C06 | C07 | N09 | C10 | 153.8° | 180.0° |
C06 | C07 | N09 | H09N | 26.2° | 0.1° |
O08 | C07 | N09 | C10 | 27.1° | 0.1° |
O08 | C07 | N09 | H09N | 152.9° | 180.0° |
C07 | N09 | C10 | H09N | 180.0° | 179.9° |
C07 | N09 | C10 | C15 | 121.2° | 180.0° |
C07 | N09 | C10 | H101 | 117.1° | 59.9° |
C07 | N09 | C10 | H102 | 0.4° | 60.1° |
N09 | C10 | C15 | H101 | 121.6° | 120.0° |
N09 | C10 | C15 | H102 | 121.6° | 119.9° |
N09 | C10 | H101 | H102 | 114.7° | 120.0° |
N09 | C10 | C15 | C16 | 89.2° | 90.0° |
N09 | C10 | C15 | C20 | 90.8° | 90.2° |
H09N | N09 | C10 | C15 | 58.8° | 0.1° |
H09N | N09 | C10 | H101 | 62.8° | 120.0° |
H09N | N09 | C10 | H102 | 179.6° | 120.0° |
C15 | C10 | H101 | H102 | 114.7° | 120.0° |
C10 | C15 | C16 | C20 | 180.0° | 179.7° |
C10 | C15 | C16 | C17 | 179.9° | 180.0° |
C10 | C15 | C16 | F21 | 0.1° | 0.0° |
C10 | C15 | C20 | C19 | 179.8° | 179.7° |
C10 | C15 | C20 | F22 | 0.0° | 0.0° |
H101 | C10 | C15 | C16 | 32.4° | 30.0° |
H101 | C10 | C15 | C20 | 147.6° | 149.7° |
H102 | C10 | C15 | C16 | 149.1° | 150.0° |
H102 | C10 | C15 | C20 | 30.8° | 29.7° |
NP2 | S11 | O13 | O14 | 131.0° | 123.0° |
S11 | NP2 | HNP1 | HNP2 | 120.0° | 179.9° |
O13 | S11 | NP2 | HNP1 | 64.4° | 36.4° |
O13 | S11 | NP2 | HNP2 | 55.6° | 143.5° |
O14 | S11 | NP2 | HNP1 | 64.5° | 96.5° |
O14 | S11 | NP2 | HNP2 | 175.5° | 83.6° |
C15 | C16 | C17 | F21 | 180.0° | 180.0° |
C15 | C16 | C17 | C18 | 0.0° | 0.0° |
C15 | C16 | C17 | H17C | 180.0° | 180.0° |
C16 | C15 | C20 | C19 | 0.2° | 0.5° |
C16 | C15 | C20 | F22 | 180.0° | 179.7° |
C20 | C15 | C16 | C17 | 0.1° | 0.3° |
C20 | C15 | C16 | F21 | 179.9° | 179.8° |
C15 | C20 | C19 | C18 | 0.2° | 0.5° |
C15 | C20 | C19 | F22 | 179.8° | 179.7° |
C15 | C20 | C19 | H19C | 179.8° | 179.7° |
C16 | C17 | C18 | H17C | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 0.1° | 0.0° |
C16 | C17 | C18 | H18C | 179.9° | 180.0° |
F21 | C16 | C17 | C18 | 180.0° | 179.9° |
F21 | C16 | C17 | H17C | 0.0° | 0.1° |
C17 | C18 | C19 | H18C | 180.0° | 180.0° |
C17 | C18 | C19 | C20 | 0.1° | 0.3° |
C17 | C18 | C19 | H19C | 180.0° | 180.0° |
H17C | C17 | C18 | C19 | 180.0° | 180.0° |
H17C | C17 | C18 | H18C | 0.0° | 0.0° |
C18 | C19 | C20 | H19C | 180.0° | 179.7° |
C18 | C19 | C20 | F22 | 180.0° | 179.7° |
H18C | C18 | C19 | C20 | 179.9° | 179.8° |
H18C | C18 | C19 | H19C | 0.0° | 0.0° |
H19C | C19 | C20 | F22 | 0.0° | 0.0° |