O9Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F1 | C13 | sing | 1.35Å | 1.36Å | |
C13 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
C13 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
C10 | C9 | sing | 1.48Å | 1.46Å | |
C9 | O1 | sing | 1.34Å | 1.36Å | |
C9 | C8 | doub | 1.36Å | 1.35Å | |
O1 | C6 | sing | 1.35Å | 1.37Å | |
C8 | C7 | sing | 1.42Å | 1.44Å | |
C6 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
C7 | C5 | sing | 1.47Å | 1.47Å | |
C7 | O2 | doub | 1.22Å | 1.25Å | |
C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
C2 | O4 | sing | 1.36Å | 1.35Å | |
C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
C4 | O3 | sing | 1.36Å | 1.35Å | |
C8 | H1 | sing | 1.08Å | 1.08Å | |
C15 | H2 | sing | 1.08Å | 1.08Å | |
C1 | H3 | sing | 1.08Å | 1.08Å | |
C3 | H4 | sing | 1.08Å | 1.08Å | |
O3 | H5 | sing | 0.97Å | 0.95Å | |
O4 | H6 | sing | 0.97Å | 0.95Å | |
C11 | H7 | sing | 1.08Å | 1.08Å | |
C12 | H8 | sing | 1.08Å | 1.08Å | |
C14 | H9 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F1 | C13 | C14 | 118.4° | 119.9° |
F1 | C13 | C12 | 118.0° | 119.9° |
C14 | C13 | C12 | 123.6° | 120.2° |
C13 | C14 | C15 | 118.0° | 120.2° |
C13 | C14 | H9 | 121.0° | 119.9° |
C13 | C12 | C11 | 118.1° | 120.2° |
C13 | C12 | H8 | 120.9° | 119.9° |
C14 | C15 | C10 | 120.4° | 119.9° |
C14 | C15 | H2 | 119.8° | 120.1° |
C15 | C14 | H9 | 121.0° | 119.9° |
C12 | C11 | C10 | 120.4° | 119.8° |
C12 | C11 | H7 | 119.8° | 120.1° |
C11 | C12 | H8 | 120.9° | 119.9° |
C15 | C10 | C11 | 119.3° | 119.8° |
C15 | C10 | C9 | 120.4° | 120.1° |
C10 | C15 | H2 | 119.8° | 120.1° |
C11 | C10 | C9 | 119.8° | 120.1° |
C10 | C11 | H7 | 119.8° | 120.1° |
C10 | C9 | O1 | 111.8° | 118.8° |
C10 | C9 | C8 | 125.3° | 118.8° |
O1 | C9 | C8 | 122.6° | 122.5° |
C9 | O1 | C6 | 119.8° | 122.3° |
C9 | C8 | C7 | 121.9° | 119.6° |
C9 | C8 | H1 | 119.0° | 120.2° |
O1 | C6 | C1 | 114.6° | 120.8° |
O1 | C6 | C5 | 121.2° | 119.8° |
C8 | C7 | C5 | 114.7° | 117.4° |
C8 | C7 | O2 | 122.0° | 121.3° |
C7 | C8 | H1 | 119.0° | 120.2° |
C1 | C6 | C5 | 124.2° | 119.5° |
C6 | C1 | C2 | 116.9° | 120.0° |
C6 | C1 | H3 | 121.5° | 120.0° |
C6 | C5 | C7 | 119.8° | 118.5° |
C6 | C5 | C4 | 116.8° | 120.2° |
C1 | C2 | O4 | 118.9° | 119.7° |
C1 | C2 | C3 | 121.6° | 120.6° |
C2 | C1 | H3 | 121.6° | 120.0° |
C5 | C7 | O2 | 123.3° | 121.3° |
C7 | C5 | C4 | 123.4° | 121.3° |
C5 | C4 | C3 | 120.4° | 119.5° |
C5 | C4 | O3 | 120.1° | 120.3° |
O4 | C2 | C3 | 119.5° | 119.7° |
C2 | O4 | H6 | 109.5° | 114.0° |
C2 | C3 | C4 | 119.9° | 120.2° |
C2 | C3 | H4 | 120.0° | 119.9° |
C3 | C4 | O3 | 119.4° | 120.3° |
C4 | C3 | H4 | 120.1° | 119.9° |
C4 | O3 | H5 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F1 | C13 | C14 | C12 | 179.7° | 179.7° |
F1 | C13 | C14 | C15 | 179.5° | 180.0° |
F1 | C13 | C12 | C11 | 179.4° | 180.0° |
F1 | C13 | C12 | H8 | 0.6° | 0.2° |
F1 | C13 | C14 | H9 | 0.5° | 0.2° |
C13 | C14 | C15 | H9 | 180.0° | 179.8° |
C14 | C13 | C12 | C11 | 0.3° | 0.3° |
C13 | C14 | C15 | C10 | 2.3° | 0.0° |
C13 | C14 | C15 | H2 | 177.8° | 180.0° |
C14 | C13 | C12 | H8 | 179.7° | 180.0° |
C12 | C13 | C14 | C15 | 0.2° | 0.3° |
C13 | C12 | C11 | H8 | 180.0° | 179.8° |
C13 | C12 | C11 | C10 | 2.5° | 0.0° |
C13 | C12 | C11 | H7 | 177.5° | 180.0° |
C12 | C13 | C14 | H9 | 179.8° | 180.0° |
C14 | C15 | C10 | H2 | 180.0° | 180.0° |
C14 | C15 | C10 | C11 | 4.4° | 0.3° |
C14 | C15 | C10 | C9 | 176.7° | 180.0° |
C12 | C11 | C10 | C15 | 4.5° | 0.3° |
C12 | C11 | C10 | H7 | 180.0° | 180.0° |
C12 | C11 | C10 | C9 | 176.8° | 180.0° |
C15 | C10 | C11 | C9 | 172.3° | 179.7° |
C15 | C10 | C9 | O1 | 26.0° | 0.0° |
C15 | C10 | C9 | C8 | 159.6° | 179.9° |
C15 | C10 | C11 | H7 | 175.5° | 179.8° |
C10 | C15 | C14 | H9 | 177.7° | 179.8° |
C11 | C10 | C9 | O1 | 146.2° | 179.7° |
C11 | C10 | C9 | C8 | 28.2° | 0.3° |
C11 | C10 | C15 | H2 | 175.6° | 179.7° |
C10 | C11 | C12 | H8 | 177.5° | 179.8° |
C10 | C9 | O1 | C8 | 174.6° | 179.9° |
C10 | C9 | O1 | C6 | 176.2° | 180.0° |
C10 | C9 | C8 | C7 | 176.5° | 180.0° |
C10 | C9 | C8 | H1 | 3.5° | 0.0° |
C9 | C10 | C15 | H2 | 3.4° | 0.0° |
C9 | C10 | C11 | H7 | 3.2° | 0.0° |
O1 | C9 | C8 | C7 | 2.7° | 0.1° |
C9 | O1 | C6 | C1 | 179.9° | 179.9° |
C9 | O1 | C6 | C5 | 0.5° | 0.0° |
O1 | C9 | C8 | H1 | 177.3° | 180.0° |
C8 | C9 | O1 | C6 | 1.6° | 0.1° |
C9 | C8 | C7 | H1 | 180.0° | 180.0° |
C9 | C8 | C7 | C5 | 2.3° | 0.0° |
C9 | C8 | C7 | O2 | 179.1° | 180.0° |
O1 | C6 | C1 | C5 | 179.6° | 180.0° |
O1 | C6 | C1 | C2 | 179.1° | 180.0° |
O1 | C6 | C5 | C7 | 0.3° | 0.0° |
O1 | C6 | C5 | C4 | 179.8° | 180.0° |
O1 | C6 | C1 | H3 | 0.9° | 0.1° |
C8 | C7 | C5 | C6 | 1.2° | 0.0° |
C8 | C7 | C5 | O2 | 178.5° | 180.0° |
C8 | C7 | C5 | C4 | 178.9° | 180.0° |
C6 | C1 | C2 | H3 | 180.0° | 179.9° |
C1 | C6 | C5 | C7 | 179.9° | 180.0° |
C1 | C6 | C5 | C4 | 0.2° | 0.0° |
C6 | C1 | C2 | O4 | 179.7° | 179.9° |
C6 | C1 | C2 | C3 | 0.0° | 0.0° |
C5 | C6 | C1 | C2 | 0.5° | 0.0° |
C6 | C5 | C7 | C4 | 179.9° | 180.0° |
C6 | C5 | C7 | O2 | 179.7° | 180.0° |
C6 | C5 | C4 | C3 | 1.4° | 0.0° |
C6 | C5 | C4 | O3 | 178.5° | 179.7° |
C5 | C6 | C1 | H3 | 179.5° | 180.0° |
C1 | C2 | O4 | C3 | 179.7° | 179.9° |
C1 | C2 | C3 | C4 | 1.1° | 0.0° |
C1 | C2 | C3 | H4 | 178.9° | 179.7° |
C1 | C2 | O4 | H6 | 180.0° | 90.0° |
C7 | C5 | C4 | C3 | 178.7° | 180.0° |
C7 | C5 | C4 | O3 | 1.6° | 0.3° |
C5 | C7 | C8 | H1 | 177.7° | 180.0° |
O2 | C7 | C5 | C4 | 0.4° | 0.0° |
O2 | C7 | C8 | H1 | 0.9° | 0.0° |
C5 | C4 | C3 | C2 | 1.8° | 0.0° |
C5 | C4 | C3 | O3 | 177.2° | 179.7° |
C5 | C4 | C3 | H4 | 178.1° | 179.7° |
C5 | C4 | O3 | H5 | 1.2° | 89.7° |
O4 | C2 | C3 | C4 | 179.2° | 180.0° |
O4 | C2 | C1 | H3 | 0.3° | 0.0° |
O4 | C2 | C3 | H4 | 0.8° | 0.4° |
C2 | C3 | C4 | H4 | 180.0° | 179.7° |
C2 | C3 | C4 | O3 | 179.0° | 179.7° |
C3 | C2 | C1 | H3 | 180.0° | 179.9° |
C3 | C2 | O4 | H6 | 0.3° | 90.1° |
C3 | C4 | O3 | H5 | 178.4° | 90.0° |
O3 | C4 | C3 | H4 | 1.0° | 0.0° |
H2 | C15 | C14 | H9 | 2.3° | 0.3° |
H7 | C11 | C12 | H8 | 2.5° | 0.2° |