A1LXW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | sing | 1.51Å | 1.51Å | |
C02 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
C07 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
O11 | C03 | sing | 1.36Å | 1.41Å | |
C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
C06 | C08 | sing | 1.47Å | 1.51Å | |
C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
O10 | C08 | doub | 1.21Å | 1.26Å | |
C08 | O09 | sing | 1.35Å | 1.26Å | |
C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.08Å | 1.08Å | |
C05 | H5 | sing | 1.08Å | 1.08Å | |
C07 | H6 | sing | 1.08Å | 1.08Å | |
O09 | H7 | sing | 0.97Å | 0.95Å | |
O11 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | C07 | 118.8° | 119.9° |
C01 | C02 | C03 | 121.1° | 119.9° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.4° | 109.5° |
C07 | C02 | C03 | 120.0° | 120.1° |
C02 | C07 | C06 | 120.1° | 119.9° |
C02 | C07 | H6 | 120.0° | 120.0° |
C02 | C03 | O11 | 120.1° | 119.9° |
C02 | C03 | C04 | 119.8° | 120.2° |
C07 | C06 | C08 | 118.9° | 120.1° |
C07 | C06 | C05 | 120.4° | 119.8° |
C06 | C07 | H6 | 119.9° | 120.0° |
O11 | C03 | C04 | 120.1° | 119.9° |
C03 | O11 | H8 | 109.5° | 114.0° |
C03 | C04 | C05 | 120.1° | 120.1° |
C03 | C04 | H4 | 120.0° | 120.0° |
C08 | C06 | C05 | 120.7° | 120.1° |
C06 | C08 | O10 | 119.4° | 119.9° |
C06 | C08 | O09 | 119.7° | 120.0° |
C06 | C05 | C04 | 119.6° | 119.9° |
C06 | C05 | H5 | 120.2° | 120.0° |
O10 | C08 | O09 | 120.9° | 120.0° |
C08 | O09 | H7 | 109.5° | 117.0° |
C05 | C04 | H4 | 119.9° | 119.9° |
C04 | C05 | H5 | 120.2° | 120.1° |
H1 | C01 | H2 | 109.5° | 109.4° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | C02 | C07 | C03 | 179.7° | 179.7° |
C01 | C02 | C07 | C06 | 179.9° | 179.7° |
C01 | C02 | C03 | O11 | 0.2° | 0.1° |
C01 | C02 | C03 | C04 | 179.9° | 180.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | C07 | H6 | 0.1° | 0.0° |
C02 | C07 | C06 | H6 | 180.0° | 179.7° |
C07 | C02 | C03 | O11 | 179.9° | 179.8° |
C07 | C02 | C03 | C04 | 0.2° | 0.3° |
C02 | C07 | C06 | C08 | 179.9° | 179.6° |
C02 | C07 | C06 | C05 | 0.0° | 0.5° |
C07 | C02 | C01 | H1 | 89.9° | 90.0° |
C07 | C02 | C01 | H2 | 150.1° | 150.0° |
C07 | C02 | C01 | H3 | 30.1° | 30.0° |
C03 | C02 | C07 | C06 | 0.2° | 0.6° |
C02 | C03 | O11 | C04 | 179.9° | 179.9° |
C02 | C03 | C04 | C05 | 0.0° | 0.1° |
C03 | C02 | C01 | H1 | 89.9° | 89.7° |
C03 | C02 | C01 | H2 | 30.2° | 30.3° |
C03 | C02 | C01 | H3 | 150.1° | 150.3° |
C02 | C03 | C04 | H4 | 180.0° | 180.0° |
C03 | C02 | C07 | H6 | 179.8° | 179.7° |
C02 | C03 | O11 | H8 | 180.0° | 90.1° |
C07 | C06 | C08 | C05 | 179.9° | 179.8° |
C07 | C06 | C08 | O10 | 25.3° | 0.2° |
C07 | C06 | C08 | O09 | 153.9° | 179.7° |
C07 | C06 | C05 | C04 | 0.2° | 0.2° |
C07 | C06 | C05 | H5 | 179.8° | 179.8° |
O11 | C03 | C04 | C05 | 179.9° | 179.9° |
O11 | C03 | C04 | H4 | 0.1° | 0.1° |
C03 | C04 | C05 | C06 | 0.2° | 0.0° |
C03 | C04 | C05 | H4 | 180.0° | 180.0° |
C03 | C04 | C05 | H5 | 179.8° | 180.0° |
C04 | C03 | O11 | H8 | 0.1° | 90.0° |
C06 | C08 | O10 | O09 | 179.3° | 179.9° |
C08 | C06 | C05 | C04 | 179.9° | 179.9° |
C08 | C06 | C05 | H5 | 0.1° | 0.1° |
C08 | C06 | C07 | H6 | 0.0° | 0.0° |
C06 | C08 | O09 | H7 | 179.2° | 180.0° |
C05 | C06 | C08 | O10 | 154.6° | 180.0° |
C05 | C06 | C08 | O09 | 26.1° | 0.1° |
C06 | C05 | C04 | H5 | 180.0° | 180.0° |
C06 | C05 | C04 | H4 | 179.9° | 180.0° |
C05 | C06 | C07 | H6 | 180.0° | 179.8° |
O10 | C08 | O09 | H7 | 0.0° | 0.1° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H4 | C04 | C05 | H5 | 0.2° | 0.0° |