T9T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | SN7 | sing | 2.15Å | 2.07Å | |
| C2 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| SN7 | C8 | sing | 2.15Å | 2.07Å | |
| SN7 | C14 | sing | 2.15Å | 2.07Å | |
| C8 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 118.5° | 120.0° |
| C2 | C1 | SN7 | 120.5° | 120.0° |
| C1 | C2 | C4 | 120.1° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C3 | C1 | SN7 | 120.9° | 120.0° |
| C1 | C3 | C5 | 121.3° | 120.0° |
| C1 | C3 | H3 | 119.4° | 120.0° |
| C1 | SN7 | C8 | 112.5° | 120.0° |
| C1 | SN7 | C14 | 109.6° | 120.0° |
| C2 | C4 | C6 | 120.8° | 120.0° |
| C4 | C2 | H2 | 119.9° | 120.0° |
| C2 | C4 | H4 | 119.6° | 120.0° |
| C3 | C5 | C6 | 120.1° | 120.0° |
| C5 | C3 | H3 | 119.3° | 120.0° |
| C3 | C5 | H5 | 120.0° | 120.0° |
| C4 | C6 | C5 | 119.2° | 120.1° |
| C6 | C4 | H4 | 119.6° | 120.1° |
| C4 | C6 | H6 | 120.4° | 119.9° |
| C6 | C5 | H5 | 119.9° | 120.1° |
| C5 | C6 | H6 | 120.4° | 120.0° |
| C8 | SN7 | C14 | 105.5° | 120.0° |
| SN7 | C8 | C11 | 120.4° | 120.0° |
| SN7 | C8 | C13 | 121.4° | 120.0° |
| SN7 | C14 | C16 | 121.2° | 120.0° |
| SN7 | C14 | C19 | 119.6° | 120.0° |
| C11 | C8 | C13 | 118.2° | 120.0° |
| C8 | C11 | C9 | 120.6° | 120.0° |
| C8 | C11 | H11 | 119.7° | 120.0° |
| C8 | C13 | C12 | 121.5° | 120.0° |
| C8 | C13 | H13 | 119.2° | 120.0° |
| C10 | C9 | C11 | 120.4° | 120.0° |
| C9 | C10 | C12 | 119.2° | 120.0° |
| C10 | C9 | H9 | 119.7° | 120.0° |
| C9 | C10 | H10 | 120.4° | 120.0° |
| C11 | C9 | H9 | 119.8° | 120.0° |
| C9 | C11 | H11 | 119.7° | 120.0° |
| C10 | C12 | C13 | 120.0° | 120.0° |
| C12 | C10 | H10 | 120.4° | 120.0° |
| C10 | C12 | H12 | 120.0° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | H13 | 119.2° | 119.9° |
| C16 | C14 | C19 | 119.2° | 120.0° |
| C14 | C16 | C15 | 121.0° | 120.0° |
| C14 | C16 | H16 | 119.5° | 120.0° |
| C14 | C19 | C18 | 120.4° | 120.0° |
| C14 | C19 | H19 | 119.8° | 120.1° |
| C16 | C15 | C17 | 119.9° | 120.0° |
| C16 | C15 | H15 | 120.1° | 119.9° |
| C15 | C16 | H16 | 119.5° | 120.1° |
| C15 | C17 | C18 | 119.0° | 120.0° |
| C17 | C15 | H15 | 120.0° | 120.0° |
| C15 | C17 | H17 | 120.5° | 120.0° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C18 | C17 | H17 | 120.5° | 120.0° |
| C17 | C18 | H18 | 119.7° | 120.0° |
| C19 | C18 | H18 | 119.7° | 120.0° |
| C18 | C19 | H19 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | SN7 | 179.8° | 179.7° |
| C1 | C2 | C4 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C5 | 0.1° | 0.0° |
| C1 | C2 | C4 | C6 | 0.8° | 0.0° |
| C2 | C1 | SN7 | C8 | 84.8° | 180.0° |
| C2 | C1 | SN7 | C14 | 32.3° | 0.0° |
| C2 | C1 | C3 | H3 | 179.9° | 180.0° |
| C1 | C2 | C4 | H4 | 179.2° | 179.9° |
| C3 | C1 | C2 | C4 | 0.4° | 0.0° |
| C1 | C3 | C5 | H3 | 180.0° | 180.0° |
| C1 | C3 | C5 | C6 | 0.3° | 0.0° |
| C3 | C1 | SN7 | C8 | 95.0° | 0.3° |
| C3 | C1 | SN7 | C14 | 147.9° | 179.7° |
| C3 | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C3 | C5 | H5 | 179.7° | 180.0° |
| SN7 | C1 | C2 | C4 | 179.7° | 179.7° |
| SN7 | C1 | C3 | C5 | 179.7° | 179.7° |
| C1 | SN7 | C8 | C14 | 119.5° | 180.0° |
| C1 | SN7 | C8 | C11 | 41.0° | 180.0° |
| C1 | SN7 | C8 | C13 | 139.7° | 0.3° |
| C1 | SN7 | C14 | C16 | 31.3° | 180.0° |
| C1 | SN7 | C14 | C19 | 148.4° | 0.3° |
| SN7 | C1 | C2 | H2 | 0.3° | 0.4° |
| SN7 | C1 | C3 | H3 | 0.3° | 0.3° |
| C2 | C4 | C6 | H4 | 180.0° | 180.0° |
| C2 | C4 | C6 | C5 | 0.6° | 0.0° |
| C2 | C4 | C6 | H6 | 179.4° | 180.0° |
| C3 | C5 | C6 | C4 | 0.1° | 0.0° |
| C3 | C5 | C6 | H5 | 180.0° | 179.9° |
| C3 | C5 | C6 | H6 | 179.9° | 180.0° |
| C4 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C4 | C2 | H2 | 179.2° | 180.0° |
| C4 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C5 | C3 | H3 | 179.7° | 180.0° |
| C5 | C6 | C4 | H4 | 179.4° | 179.9° |
| SN7 | C8 | C11 | C13 | 179.3° | 179.7° |
| SN7 | C8 | C11 | C9 | 179.8° | 180.0° |
| SN7 | C8 | C13 | C12 | 179.6° | 180.0° |
| C8 | SN7 | C14 | C16 | 152.7° | 0.0° |
| C8 | SN7 | C14 | C19 | 27.0° | 179.7° |
| SN7 | C8 | C11 | H11 | 0.2° | 0.1° |
| SN7 | C8 | C13 | H13 | 0.4° | 0.0° |
| C14 | SN7 | C8 | C11 | 78.4° | 0.0° |
| C14 | SN7 | C8 | C13 | 100.9° | 179.7° |
| SN7 | C14 | C16 | C19 | 179.7° | 179.7° |
| SN7 | C14 | C16 | C15 | 179.1° | 180.0° |
| SN7 | C14 | C19 | C18 | 179.7° | 180.0° |
| SN7 | C14 | C16 | H16 | 0.9° | 0.1° |
| SN7 | C14 | C19 | H19 | 0.3° | 0.1° |
| C8 | C11 | C9 | C10 | 0.0° | 0.0° |
| C8 | C11 | C9 | H11 | 180.0° | 179.9° |
| C11 | C8 | C13 | C12 | 0.3° | 0.3° |
| C8 | C11 | C9 | H9 | 179.9° | 179.7° |
| C11 | C8 | C13 | H13 | 179.7° | 179.7° |
| C13 | C8 | C11 | C9 | 0.5° | 0.3° |
| C8 | C13 | C12 | C10 | 0.5° | 0.0° |
| C8 | C13 | C12 | H13 | 180.0° | 180.0° |
| C13 | C8 | C11 | H11 | 179.5° | 179.8° |
| C8 | C13 | C12 | H12 | 179.5° | 179.7° |
| C10 | C9 | C11 | H9 | 180.0° | 179.8° |
| C9 | C10 | C12 | H10 | 180.0° | 179.7° |
| C9 | C10 | C12 | C13 | 0.9° | 0.3° |
| C10 | C9 | C11 | H11 | 180.0° | 179.9° |
| C9 | C10 | C12 | H12 | 179.0° | 180.0° |
| C11 | C9 | C10 | C12 | 0.7° | 0.3° |
| C11 | C9 | C10 | H10 | 179.3° | 180.0° |
| C10 | C12 | C13 | H12 | 180.0° | 179.7° |
| C12 | C10 | C9 | H9 | 179.3° | 179.9° |
| C10 | C12 | C13 | H13 | 179.6° | 180.0° |
| C13 | C12 | C10 | H10 | 179.1° | 180.0° |
| C14 | C16 | C15 | H16 | 180.0° | 179.9° |
| C14 | C16 | C15 | C17 | 0.9° | 0.0° |
| C16 | C14 | C19 | C18 | 0.0° | 0.3° |
| C14 | C16 | C15 | H15 | 179.1° | 179.9° |
| C16 | C14 | C19 | H19 | 179.9° | 179.7° |
| C19 | C14 | C16 | C15 | 0.6° | 0.3° |
| C14 | C19 | C18 | C17 | 0.3° | 0.0° |
| C14 | C19 | C18 | H19 | 180.0° | 179.9° |
| C19 | C14 | C16 | H16 | 179.4° | 179.8° |
| C14 | C19 | C18 | H18 | 179.7° | 179.7° |
| C16 | C15 | C17 | H15 | 180.0° | 179.9° |
| C16 | C15 | C17 | C18 | 0.5° | 0.3° |
| C16 | C15 | C17 | H17 | 179.5° | 180.0° |
| C15 | C17 | C18 | H17 | 180.0° | 179.7° |
| C15 | C17 | C18 | C19 | 0.0° | 0.3° |
| C17 | C15 | C16 | H16 | 179.1° | 179.9° |
| C15 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C18 | C17 | C15 | H15 | 179.5° | 179.8° |
| C17 | C18 | C19 | H19 | 179.7° | 179.9° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| H2 | C2 | C4 | H4 | 0.8° | 0.0° |
| H3 | C3 | C5 | H5 | 0.3° | 0.1° |
| H4 | C4 | C6 | H6 | 0.6° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H9 | C9 | C10 | H10 | 0.7° | 0.2° |
| H9 | C9 | C11 | H11 | 0.0° | 0.1° |
| H10 | C10 | C12 | H12 | 1.0° | 0.3° |
| H12 | C12 | C13 | H13 | 0.5° | 0.3° |
| H15 | C15 | C16 | H16 | 0.9° | 0.0° |
| H15 | C15 | C17 | H17 | 0.5° | 0.1° |
| H17 | C17 | C18 | H18 | 0.1° | 0.3° |
| H18 | C18 | C19 | H19 | 0.3° | 0.3° |
