8P0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
C01 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
C14 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
C02 | C03 | doub | 1.39Å | 1.37Å | Aromatic |
C13 | C15 | doub | 1.39Å | 1.44Å | Aromatic |
C13 | C12 | sing | 1.47Å | 1.40Å | Aromatic |
C03 | C12 | sing | 1.47Å | 1.41Å | Aromatic |
C03 | C04 | sing | 1.39Å | 1.44Å | Aromatic |
C15 | C16 | sing | 1.40Å | 1.35Å | Aromatic |
C12 | C11 | doub | 1.31Å | 1.43Å | Aromatic |
C04 | C05 | doub | 1.40Å | 1.35Å | Aromatic |
C16 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
C11 | C10 | sing | 1.47Å | 1.40Å | Aromatic |
C11 | C06 | sing | 1.47Å | 1.41Å | Aromatic |
C05 | C06 | sing | 1.39Å | 1.44Å | Aromatic |
C10 | C09 | sing | 1.39Å | 1.37Å | Aromatic |
C06 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
C09 | C08 | doub | 1.39Å | 1.37Å | Aromatic |
C07 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
C01 | H011 | sing | 1.08Å | 1.08Å | |
C02 | H021 | sing | 1.08Å | 1.08Å | |
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 | |
C09 | H091 | sing | 1.08Å | 1.08Å | |
C14 | H141 | sing | 1.08Å | 1.08Å | |
C15 | H151 | sing | 1.08Å | 1.08Å | |
C16 | H161 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C14 | C01 | C02 | 120.5° | 122.8° |
C01 | C14 | C13 | 120.4° | 120.7° |
C14 | C01 | H011 | 119.8° | 118.6° |
C01 | C14 | H141 | 119.8° | 119.7° |
C01 | C02 | C03 | 120.6° | 120.6° |
C02 | C01 | H011 | 119.7° | 118.6° |
C01 | C02 | H021 | 119.7° | 119.7° |
C14 | C13 | C15 | 121.9° | 122.2° |
C14 | C13 | C12 | 119.8° | 118.3° |
C13 | C14 | H141 | 119.8° | 119.7° |
C02 | C03 | C12 | 119.5° | 118.3° |
C02 | C03 | C04 | 122.9° | 122.2° |
C03 | C02 | H021 | 119.7° | 119.7° |
C15 | C13 | C12 | 118.3° | 119.5° |
C13 | C15 | C16 | 121.6° | 120.1° |
C13 | C15 | H151 | 119.2° | 120.0° |
C13 | C12 | C03 | 119.2° | 119.3° |
C13 | C12 | C11 | 120.0° | 120.4° |
C12 | C03 | C04 | 117.6° | 119.5° |
C03 | C12 | C11 | 120.8° | 120.4° |
C03 | C04 | C05 | 121.7° | 120.1° |
C03 | C04 | H041 | 119.2° | 120.0° |
C15 | C16 | C10 | 121.3° | 120.1° |
C16 | C15 | H151 | 119.2° | 119.9° |
C15 | C16 | H161 | 119.3° | 119.9° |
C12 | C11 | C10 | 120.5° | 120.4° |
C12 | C11 | C06 | 120.5° | 120.4° |
C04 | C05 | C06 | 121.8° | 120.1° |
C05 | C04 | H041 | 119.2° | 119.9° |
C04 | C05 | H051 | 119.1° | 119.9° |
C16 | C10 | C11 | 118.3° | 119.5° |
C16 | C10 | C09 | 121.7° | 122.2° |
C10 | C16 | H161 | 119.4° | 120.0° |
C10 | C11 | C06 | 119.0° | 119.3° |
C11 | C10 | C09 | 120.1° | 118.3° |
C11 | C06 | C05 | 117.7° | 119.5° |
C11 | C06 | C07 | 119.6° | 118.3° |
C05 | C06 | C07 | 122.7° | 122.2° |
C06 | C05 | H051 | 119.1° | 120.0° |
C10 | C09 | C08 | 120.3° | 120.7° |
C10 | C09 | H091 | 119.8° | 119.7° |
C06 | C07 | C08 | 120.4° | 120.7° |
C06 | C07 | H071 | 119.8° | 119.7° |
C09 | C08 | C07 | 120.6° | 122.7° |
C09 | C08 | H081 | 119.7° | 118.6° |
C08 | C09 | H091 | 119.8° | 119.7° |
C08 | C07 | H071 | 119.8° | 119.7° |
C07 | C08 | H081 | 119.7° | 118.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C14 | C01 | C02 | H011 | 180.0° | 179.8° |
C01 | C14 | C13 | H141 | 180.0° | 179.9° |
C14 | C01 | C02 | C03 | 0.3° | 0.0° |
C01 | C14 | C13 | C15 | 179.8° | 180.0° |
C01 | C14 | C13 | C12 | 0.3° | 0.0° |
C14 | C01 | C02 | H021 | 179.7° | 180.0° |
C02 | C01 | C14 | C13 | 0.3° | 0.0° |
C01 | C02 | C03 | H021 | 180.0° | 180.0° |
C01 | C02 | C03 | C12 | 0.2° | 0.0° |
C01 | C02 | C03 | C04 | 180.0° | 180.0° |
C02 | C01 | C14 | H141 | 179.6° | 179.9° |
C14 | C13 | C15 | C12 | 180.0° | 180.0° |
C14 | C13 | C12 | C03 | 0.2° | 0.0° |
C14 | C13 | C15 | C16 | 179.9° | 180.0° |
C14 | C13 | C12 | C11 | 180.0° | 180.0° |
C13 | C14 | C01 | H011 | 179.6° | 179.8° |
C14 | C13 | C15 | H151 | 0.2° | 0.0° |
C02 | C03 | C12 | C13 | 0.1° | 0.0° |
C02 | C03 | C12 | C04 | 179.9° | 180.0° |
C02 | C03 | C12 | C11 | 179.9° | 180.0° |
C02 | C03 | C04 | C05 | 179.9° | 180.0° |
C03 | C02 | C01 | H011 | 179.7° | 179.8° |
C02 | C03 | C04 | H041 | 0.1° | 0.0° |
C15 | C13 | C12 | C03 | 179.9° | 180.0° |
C13 | C15 | C16 | H151 | 180.0° | 180.0° |
C15 | C13 | C12 | C11 | 0.0° | 0.0° |
C13 | C15 | C16 | C10 | 0.2° | 0.0° |
C15 | C13 | C14 | H141 | 0.3° | 0.1° |
C13 | C15 | C16 | H161 | 179.8° | 180.0° |
C13 | C12 | C03 | C11 | 179.8° | 180.0° |
C13 | C12 | C03 | C04 | 180.0° | 180.0° |
C12 | C13 | C15 | C16 | 0.1° | 0.0° |
C13 | C12 | C11 | C10 | 0.1° | 0.0° |
C13 | C12 | C11 | C06 | 179.9° | 180.0° |
C12 | C13 | C14 | H141 | 179.7° | 179.9° |
C12 | C13 | C15 | H151 | 179.9° | 180.0° |
C12 | C03 | C04 | C05 | 0.2° | 0.0° |
C03 | C12 | C11 | C10 | 179.9° | 180.0° |
C03 | C12 | C11 | C06 | 0.1° | 0.0° |
C12 | C03 | C02 | H021 | 179.8° | 180.0° |
C12 | C03 | C04 | H041 | 179.8° | 180.0° |
C04 | C03 | C12 | C11 | 0.2° | 0.0° |
C03 | C04 | C05 | H041 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 0.2° | 0.0° |
C04 | C03 | C02 | H021 | 0.0° | 0.0° |
C03 | C04 | C05 | H051 | 179.8° | 180.0° |
C15 | C16 | C10 | H161 | 180.0° | 180.0° |
C15 | C16 | C10 | C11 | 0.1° | 0.0° |
C15 | C16 | C10 | C09 | 179.9° | 180.0° |
C12 | C11 | C10 | C16 | 0.0° | 0.0° |
C12 | C11 | C10 | C06 | 180.0° | 180.0° |
C12 | C11 | C06 | C05 | 0.0° | 0.0° |
C12 | C11 | C10 | C09 | 180.0° | 180.0° |
C12 | C11 | C06 | C07 | 179.9° | 180.0° |
C04 | C05 | C06 | C11 | 0.1° | 0.0° |
C04 | C05 | C06 | H051 | 180.0° | 180.0° |
C04 | C05 | C06 | C07 | 179.9° | 180.0° |
C16 | C10 | C11 | C09 | 180.0° | 180.0° |
C16 | C10 | C11 | C06 | 180.0° | 180.0° |
C16 | C10 | C09 | C08 | 179.9° | 180.0° |
C16 | C10 | C09 | H091 | 0.0° | 0.0° |
C10 | C16 | C15 | H151 | 179.8° | 180.0° |
C10 | C11 | C06 | C05 | 180.0° | 180.0° |
C10 | C11 | C06 | C07 | 0.1° | 0.0° |
C11 | C10 | C09 | C08 | 0.1° | 0.0° |
C11 | C10 | C09 | H091 | 180.0° | 180.0° |
C11 | C10 | C16 | H161 | 179.9° | 180.0° |
C11 | C06 | C05 | C07 | 180.0° | 180.0° |
C06 | C11 | C10 | C09 | 0.0° | 0.0° |
C11 | C06 | C07 | C08 | 0.2° | 0.0° |
C11 | C06 | C05 | H051 | 179.9° | 180.0° |
C11 | C06 | C07 | H071 | 179.7° | 180.0° |
C05 | C06 | C07 | C08 | 179.8° | 180.0° |
C06 | C05 | C04 | H041 | 179.8° | 180.0° |
C05 | C06 | C07 | H071 | 0.2° | 0.0° |
C10 | C09 | C08 | H091 | 180.0° | 180.0° |
C10 | C09 | C08 | C07 | 0.2° | 0.0° |
C10 | C09 | C08 | H081 | 179.8° | 180.0° |
C09 | C10 | C16 | H161 | 0.2° | 0.0° |
C06 | C07 | C08 | C09 | 0.3° | 0.0° |
C06 | C07 | C08 | H071 | 180.0° | 180.0° |
C07 | C06 | C05 | H051 | 0.1° | 0.0° |
C06 | C07 | C08 | H081 | 179.7° | 180.0° |
C09 | C08 | C07 | H081 | 180.0° | 180.0° |
C09 | C08 | C07 | H071 | 179.7° | 180.0° |
C07 | C08 | C09 | H091 | 179.8° | 180.0° |
H011 | C01 | C02 | H021 | 0.3° | 0.2° |
H011 | C01 | C14 | H141 | 0.4° | 0.3° |
H041 | C04 | C05 | H051 | 0.2° | 0.0° |
H071 | C07 | C08 | H081 | 0.3° | 0.0° |
H081 | C08 | C09 | H091 | 0.2° | 0.0° |
H151 | C15 | C16 | H161 | 0.2° | 0.0° |