L3C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O10 | C09 | doub | 1.21Å | 1.26Å | |
C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
C02 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
C09 | O11 | sing | 1.35Å | 1.26Å | |
C09 | C03 | sing | 1.48Å | 1.52Å | |
C01 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
C03 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
CL08 | C07 | sing | 1.80Å | 1.80Å | |
C06 | C07 | sing | 1.51Å | 1.54Å | |
C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
C04 | C05 | sing | 1.38Å | 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 | 1.09Å | 1.10Å | |
C07 | H072 | sing | 1.09Å | 1.10Å | |
O11 | H1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O10 | C09 | O11 | 121.6° | 120.0° |
O10 | C09 | C03 | 119.1° | 120.0° |
C01 | C02 | C03 | 119.4° | 119.9° |
C02 | C01 | C06 | 121.2° | 120.1° |
C02 | C01 | H011 | 119.4° | 119.9° |
C01 | C02 | H021 | 120.3° | 120.1° |
C02 | C03 | C09 | 118.9° | 120.2° |
C02 | C03 | C04 | 119.8° | 119.6° |
C03 | C02 | H021 | 120.3° | 120.0° |
O11 | C09 | C03 | 119.2° | 120.0° |
C09 | O11 | H1 | 109.5° | 117.0° |
C09 | C03 | C04 | 121.3° | 120.2° |
C01 | C06 | C07 | 119.1° | 119.8° |
C01 | C06 | C05 | 119.1° | 120.3° |
C06 | C01 | H011 | 119.4° | 119.9° |
C03 | C04 | C05 | 120.2° | 119.9° |
C03 | C04 | H041 | 119.9° | 120.0° |
CL08 | C07 | C06 | 115.1° | 109.5° |
CL08 | C07 | H071 | 108.1° | 109.4° |
CL08 | C07 | H072 | 108.1° | 109.5° |
C07 | C06 | C05 | 121.8° | 119.9° |
C06 | C07 | H071 | 108.0° | 109.5° |
C06 | C07 | H072 | 108.0° | 109.5° |
C06 | C05 | C04 | 120.2° | 120.1° |
C06 | C05 | H051 | 119.9° | 119.9° |
C05 | C04 | H041 | 119.9° | 120.1° |
C04 | C05 | H051 | 119.9° | 120.0° |
H071 | C07 | H072 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O10 | C09 | C03 | C02 | 12.9° | 0.1° |
O10 | C09 | O11 | C03 | 177.1° | 179.9° |
O10 | C09 | C03 | C04 | 165.9° | 180.0° |
O10 | C09 | O11 | H1 | 0.0° | 0.1° |
C01 | C02 | C03 | H021 | 180.0° | 180.0° |
C01 | C02 | C03 | C09 | 178.2° | 179.9° |
C02 | C01 | C06 | H011 | 180.0° | 179.7° |
C01 | C02 | C03 | C04 | 0.7° | 0.0° |
C02 | C01 | C06 | C07 | 179.6° | 179.8° |
C02 | C01 | C06 | C05 | 1.7° | 0.0° |
C02 | C03 | C09 | O11 | 169.9° | 180.0° |
C02 | C03 | C09 | C04 | 178.9° | 179.9° |
C03 | C02 | C01 | C06 | 1.3° | 0.0° |
C02 | C03 | C04 | C05 | 0.4° | 0.0° |
C03 | C02 | C01 | H011 | 178.6° | 179.7° |
C02 | C03 | C04 | H041 | 179.6° | 179.9° |
O11 | C09 | C03 | C04 | 11.2° | 0.1° |
C09 | C03 | C04 | C05 | 178.5° | 179.9° |
C09 | C03 | C02 | H021 | 1.8° | 0.0° |
C09 | C03 | C04 | H041 | 1.5° | 0.0° |
C03 | C09 | O11 | H1 | 177.1° | 180.0° |
C01 | C06 | C07 | CL08 | 81.0° | 90.0° |
C01 | C06 | C07 | C05 | 178.7° | 179.8° |
C01 | C06 | C05 | C04 | 1.4° | 0.0° |
C06 | C01 | C02 | H021 | 178.6° | 180.0° |
C01 | C06 | C05 | H051 | 178.6° | 179.9° |
C01 | C06 | C07 | H071 | 39.9° | 150.0° |
C01 | C06 | C07 | H072 | 158.2° | 30.1° |
C03 | C04 | C05 | C06 | 0.8° | 0.0° |
C03 | C04 | C05 | H041 | 180.0° | 180.0° |
C04 | C03 | C02 | H021 | 179.3° | 180.0° |
C03 | C04 | C05 | H051 | 179.2° | 180.0° |
CL08 | C07 | C06 | H071 | 120.8° | 120.0° |
CL08 | C07 | C06 | H072 | 120.8° | 120.1° |
CL08 | C07 | C06 | C05 | 100.4° | 90.2° |
CL08 | C07 | H071 | H072 | 117.5° | 119.9° |
C07 | C06 | C05 | C04 | 179.9° | 179.8° |
C07 | C06 | C01 | H011 | 0.4° | 0.1° |
C07 | C06 | C05 | H051 | 0.1° | 0.3° |
C06 | C07 | H071 | H072 | 117.4° | 120.0° |
C06 | C05 | C04 | H051 | 180.0° | 179.9° |
C05 | C06 | C01 | H011 | 178.3° | 179.7° |
C06 | C05 | C04 | H041 | 179.2° | 180.0° |
C05 | C06 | C07 | H071 | 138.8° | 29.8° |
C05 | C06 | C07 | H072 | 20.4° | 149.7° |
H011 | C01 | C02 | H021 | 1.4° | 0.3° |
H041 | C04 | C05 | H051 | 0.8° | 0.0° |