L6X
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O11 | C10 | doub | 1.22Å | 1.25Å | |
C10 | O12 | sing | 1.35Å | 1.25Å | |
C10 | C01 | sing | 1.47Å | 1.52Å | |
C06 | C01 | doub | 1.40Å | 1.38Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
C01 | C02 | sing | 1.40Å | 1.38Å | Aromatic |
C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
C04 | O07 | sing | 1.36Å | 1.40Å | |
C08 | O07 | sing | 1.43Å | 1.40Å | |
C03 | O09 | sing | 1.36Å | 1.40Å | |
C02 | H1 | sing | 1.08Å | 1.08Å | |
C05 | H2 | sing | 1.08Å | 1.08Å | |
C06 | H3 | sing | 1.08Å | 1.08Å | |
C08 | H4 | sing | 1.09Å | 1.10Å | |
C08 | H5 | sing | 1.09Å | 1.10Å | |
C08 | H6 | sing | 1.09Å | 1.10Å | |
O09 | H7 | sing | 0.97Å | 0.95Å | |
O12 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O11 | C10 | O12 | 121.8° | 120.0° |
O11 | C10 | C01 | 119.6° | 120.0° |
O12 | C10 | C01 | 118.6° | 120.0° |
C10 | O12 | H8 | 109.5° | 117.0° |
C10 | C01 | C06 | 120.8° | 120.1° |
C10 | C01 | C02 | 118.0° | 120.1° |
C01 | C06 | C05 | 119.5° | 120.0° |
C06 | C01 | C02 | 121.3° | 119.8° |
C01 | C06 | H3 | 120.2° | 120.0° |
C06 | C05 | C04 | 119.3° | 120.1° |
C06 | C05 | H2 | 120.3° | 119.9° |
C05 | C06 | H3 | 120.2° | 120.0° |
C01 | C02 | C03 | 119.1° | 119.9° |
C01 | C02 | H1 | 120.5° | 120.1° |
C05 | C04 | C03 | 120.8° | 120.2° |
C05 | C04 | O07 | 120.7° | 119.9° |
C04 | C05 | H2 | 120.3° | 119.9° |
C02 | C03 | C04 | 120.0° | 120.0° |
C02 | C03 | O09 | 119.6° | 120.0° |
C03 | C02 | H1 | 120.5° | 120.1° |
C03 | C04 | O07 | 118.6° | 119.9° |
C04 | C03 | O09 | 120.4° | 120.0° |
C04 | O07 | C08 | 113.7° | 117.0° |
O07 | C08 | H4 | 109.5° | 109.5° |
O07 | C08 | H5 | 109.4° | 109.4° |
O07 | C08 | H6 | 109.5° | 109.4° |
C03 | O09 | H7 | 109.5° | 114.0° |
H4 | C08 | H5 | 109.5° | 109.5° |
H4 | C08 | H6 | 109.5° | 109.5° |
H5 | C08 | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O11 | C10 | O12 | C01 | 178.2° | 180.0° |
O11 | C10 | C01 | C06 | 9.2° | 179.7° |
O11 | C10 | C01 | C02 | 169.5° | 0.0° |
O11 | C10 | O12 | H8 | 0.0° | 0.0° |
O12 | C10 | C01 | C06 | 172.5° | 0.3° |
O12 | C10 | C01 | C02 | 8.8° | 180.0° |
C10 | C01 | C06 | C02 | 178.6° | 179.7° |
C10 | C01 | C06 | C05 | 178.9° | 179.7° |
C10 | C01 | C02 | C03 | 179.1° | 179.7° |
C10 | C01 | C02 | H1 | 0.9° | 0.3° |
C10 | C01 | C06 | H3 | 1.2° | 0.3° |
C01 | C10 | O12 | H8 | 178.2° | 180.0° |
C01 | C06 | C05 | H3 | 180.0° | 180.0° |
C01 | C06 | C05 | C04 | 0.3° | 0.1° |
C06 | C01 | C02 | C03 | 0.4° | 0.0° |
C06 | C01 | C02 | H1 | 179.6° | 180.0° |
C01 | C06 | C05 | H2 | 179.7° | 180.0° |
C05 | C06 | C01 | C02 | 0.2° | 0.0° |
C06 | C05 | C04 | H2 | 180.0° | 179.9° |
C06 | C05 | C04 | C03 | 0.6° | 0.1° |
C06 | C05 | C04 | O07 | 179.6° | 179.9° |
C01 | C02 | C03 | H1 | 180.0° | 180.0° |
C01 | C02 | C03 | C04 | 0.0° | 0.0° |
C01 | C02 | C03 | O09 | 179.8° | 180.0° |
C02 | C01 | C06 | H3 | 179.8° | 180.0° |
C05 | C04 | C03 | C02 | 0.5° | 0.0° |
C05 | C04 | C03 | O07 | 179.7° | 180.0° |
C05 | C04 | O07 | C08 | 19.9° | 0.0° |
C05 | C04 | C03 | O09 | 179.3° | 180.0° |
C04 | C05 | C06 | H3 | 179.7° | 180.0° |
C02 | C03 | C04 | O09 | 179.8° | 179.9° |
C02 | C03 | C04 | O07 | 179.8° | 180.0° |
C02 | C03 | O09 | H7 | 180.0° | 90.0° |
C03 | C04 | O07 | C08 | 159.8° | 180.0° |
C04 | C03 | C02 | H1 | 179.9° | 180.0° |
C03 | C04 | C05 | H2 | 179.4° | 180.0° |
C04 | C03 | O09 | H7 | 0.2° | 90.0° |
O07 | C04 | C03 | O09 | 0.5° | 0.0° |
O07 | C04 | C05 | H2 | 0.4° | 0.0° |
C04 | O07 | C08 | H4 | 180.0° | 60.0° |
C04 | O07 | C08 | H5 | 60.0° | 60.0° |
C04 | O07 | C08 | H6 | 60.0° | 180.0° |
O07 | C08 | H4 | H5 | 120.0° | 120.0° |
O07 | C08 | H4 | H6 | 120.0° | 119.9° |
O07 | C08 | H5 | H6 | 120.0° | 120.0° |
O09 | C03 | C02 | H1 | 0.2° | 0.0° |
H2 | C05 | C06 | H3 | 0.3° | 0.1° |
H4 | C08 | H5 | H6 | 120.0° | 120.1° |