AO7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C11 | O12 | doub | 1.21Å | 1.24Å | |
C11 | O13 | sing | 1.35Å | 1.18Å | |
C01 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
C01 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
C03 | C04 | doub | 1.37Å | 1.39Å | Aromatic |
C04 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
C05 | C06 | doub | 1.41Å | 1.37Å | Aromatic |
C05 | C07 | sing | 1.48Å | 1.48Å | |
C06 | O10 | sing | 1.35Å | 1.41Å | |
C07 | C08 | sing | 1.47Å | 1.47Å | |
C07 | O14 | doub | 1.22Å | 1.21Å | |
C08 | C09 | doub | 1.36Å | 1.35Å | |
C09 | O10 | sing | 1.34Å | 1.37Å | |
C09 | C11 | sing | 1.48Å | 1.86Å | |
C01 | H011 | sing | 1.08Å | 1.08Å | |
C02 | H021 | sing | 1.08Å | 1.08Å | |
C03 | H031 | sing | 1.08Å | 1.08Å | |
C04 | H041 | sing | 1.08Å | 1.08Å | |
C08 | H081 | sing | 1.08Å | 1.08Å | |
O13 | H3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O12 | C11 | O13 | 137.1° | 120.0° |
O12 | C11 | C09 | 108.2° | 120.0° |
O13 | C11 | C09 | 114.6° | 120.0° |
C11 | O13 | H3 | 109.5° | 117.0° |
C02 | C01 | C06 | 118.5° | 119.8° |
C01 | C02 | C03 | 120.7° | 120.8° |
C02 | C01 | H011 | 120.8° | 120.1° |
C01 | C02 | H021 | 119.7° | 119.6° |
C01 | C06 | C05 | 122.6° | 118.9° |
C01 | C06 | O10 | 117.7° | 120.7° |
C06 | C01 | H011 | 120.8° | 120.1° |
C02 | C03 | C04 | 118.7° | 120.3° |
C03 | C02 | H021 | 119.7° | 119.5° |
C02 | C03 | H031 | 120.6° | 119.8° |
C03 | C04 | C05 | 121.7° | 119.6° |
C04 | C03 | H031 | 120.7° | 119.8° |
C03 | C04 | H041 | 119.2° | 120.1° |
C04 | C05 | C06 | 117.9° | 120.5° |
C04 | C05 | C07 | 121.6° | 121.5° |
C05 | C04 | H041 | 119.1° | 120.3° |
C06 | C05 | C07 | 120.6° | 118.0° |
C05 | C06 | O10 | 119.7° | 120.3° |
C05 | C07 | C08 | 114.2° | 116.0° |
C05 | C07 | O14 | 123.1° | 122.0° |
C06 | O10 | C09 | 120.4° | 121.7° |
C08 | C07 | O14 | 122.7° | 122.0° |
C07 | C08 | C09 | 120.5° | 118.2° |
C07 | C08 | H081 | 119.7° | 120.9° |
C08 | C09 | O10 | 121.7° | 122.8° |
C08 | C09 | C11 | 119.8° | 118.6° |
C09 | C08 | H081 | 119.7° | 120.9° |
O10 | C09 | C11 | 115.9° | 118.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | C11 | O13 | C09 | 179.8° | 179.8° |
O12 | C11 | C09 | C08 | 91.4° | 0.0° |
O12 | C11 | C09 | O10 | 106.6° | 180.0° |
O12 | C11 | O13 | H3 | 0.0° | 0.0° |
O13 | C11 | C09 | C08 | 88.4° | 179.7° |
O13 | C11 | C09 | O10 | 73.6° | 0.3° |
C02 | C01 | C06 | H011 | 180.0° | 179.7° |
C01 | C02 | C03 | H021 | 180.0° | 179.9° |
C01 | C02 | C03 | C04 | 0.1° | 0.2° |
C02 | C01 | C06 | C05 | 0.0° | 0.3° |
C02 | C01 | C06 | O10 | 180.0° | 179.3° |
C01 | C02 | C03 | H031 | 179.9° | 179.8° |
C06 | C01 | C02 | C03 | 0.1° | 0.0° |
C01 | C06 | C05 | C04 | 0.0° | 0.4° |
C01 | C06 | C05 | O10 | 180.0° | 179.6° |
C01 | C06 | C05 | C07 | 180.0° | 179.2° |
C01 | C06 | O10 | C09 | 168.7° | 164.9° |
C06 | C01 | C02 | H021 | 179.9° | 179.9° |
C02 | C03 | C04 | H031 | 180.0° | 180.0° |
C02 | C03 | C04 | C05 | 0.1° | 0.0° |
C03 | C02 | C01 | H011 | 179.9° | 179.7° |
C02 | C03 | C04 | H041 | 179.8° | 180.0° |
C03 | C04 | C05 | H041 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 0.1° | 0.3° |
C03 | C04 | C05 | C07 | 179.9° | 179.4° |
C04 | C03 | C02 | H021 | 179.8° | 179.7° |
C04 | C05 | C06 | C07 | 180.0° | 179.7° |
C04 | C05 | C06 | O10 | 180.0° | 179.2° |
C04 | C05 | C07 | C08 | 166.2° | 167.4° |
C04 | C05 | C07 | O14 | 14.2° | 12.6° |
C05 | C04 | C03 | H031 | 179.9° | 179.9° |
C06 | C05 | C07 | C08 | 13.8° | 12.3° |
C06 | C05 | C07 | O14 | 165.8° | 167.8° |
C05 | C06 | O10 | C09 | 11.3° | 15.5° |
C05 | C06 | C01 | H011 | 180.0° | 180.0° |
C06 | C05 | C04 | H041 | 179.9° | 179.7° |
C07 | C05 | C06 | O10 | 0.0° | 1.2° |
C05 | C07 | C08 | O14 | 179.6° | 180.0° |
C05 | C07 | C08 | C09 | 17.8° | 12.6° |
C07 | C05 | C04 | H041 | 0.1° | 0.7° |
C05 | C07 | C08 | H081 | 162.2° | 167.4° |
C06 | O10 | C09 | C08 | 7.4° | 15.6° |
C06 | O10 | C09 | C11 | 169.0° | 164.4° |
O10 | C06 | C01 | H011 | 0.0° | 0.4° |
C07 | C08 | C09 | H081 | 180.0° | 180.0° |
C07 | C08 | C09 | O10 | 7.8° | 0.8° |
C07 | C08 | C09 | C11 | 153.1° | 179.3° |
O14 | C07 | C08 | C09 | 161.8° | 167.4° |
O14 | C07 | C08 | H081 | 18.2° | 12.6° |
C08 | C09 | O10 | C11 | 161.6° | 180.0° |
O10 | C09 | C08 | H081 | 172.1° | 179.3° |
C11 | C09 | C08 | H081 | 26.9° | 0.7° |
C09 | C11 | O13 | H3 | 179.8° | 179.7° |
H011 | C01 | C02 | H021 | 0.1° | 0.3° |
H021 | C02 | C03 | H031 | 0.2° | 0.3° |
H031 | C03 | C04 | H041 | 0.1° | 0.0° |