17Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O19 | C10 | sing | 1.36Å | 1.36Å | |
C14 | C15 | doub | 1.36Å | 1.39Å | Aromatic |
C14 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
C10 | C11 | sing | 1.41Å | 1.49Å | Aromatic |
C10 | C9 | doub | 1.37Å | 1.49Å | Aromatic |
C11 | C12 | doub | 1.42Å | 1.49Å | Aromatic |
C16 | C17 | doub | 1.36Å | 1.39Å | Aromatic |
C18 | C9 | sing | 1.51Å | 1.51Å | |
C9 | C8 | sing | 1.39Å | 1.50Å | Aromatic |
C12 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.41Å | 1.49Å | Aromatic |
C8 | C13 | doub | 1.37Å | 1.49Å | Aromatic |
C13 | O20 | sing | 1.36Å | 1.36Å | |
C8 | H1 | sing | 1.08Å | 1.08Å | |
O20 | H2 | sing | 0.97Å | 0.95Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C16 | H4 | sing | 1.08Å | 1.08Å | |
C15 | H5 | sing | 1.08Å | 1.08Å | |
C14 | H6 | sing | 1.08Å | 1.08Å | |
O19 | H7 | sing | 0.97Å | 0.95Å | |
C18 | H8 | sing | 1.09Å | 1.10Å | |
C18 | H9 | sing | 1.09Å | 1.10Å | |
C18 | H10 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O19 | C10 | C11 | 120.1° | 120.2° |
O19 | C10 | C9 | 119.4° | 120.1° |
C10 | O19 | H7 | 109.5° | 113.9° |
C15 | C14 | C11 | 119.4° | 119.7° |
C14 | C15 | C16 | 121.8° | 120.9° |
C14 | C15 | H5 | 119.1° | 119.5° |
C15 | C14 | H6 | 120.3° | 120.2° |
C14 | C11 | C10 | 121.3° | 121.3° |
C14 | C11 | C12 | 118.7° | 119.4° |
C11 | C14 | H6 | 120.3° | 120.2° |
C15 | C16 | C17 | 121.2° | 121.0° |
C15 | C16 | H4 | 119.4° | 119.5° |
C16 | C15 | H5 | 119.1° | 119.6° |
C11 | C10 | C9 | 120.6° | 119.7° |
C10 | C11 | C12 | 120.0° | 119.4° |
C10 | C9 | C18 | 117.3° | 119.5° |
C10 | C9 | C8 | 119.3° | 121.0° |
C11 | C12 | C17 | 119.9° | 119.4° |
C11 | C12 | C13 | 119.6° | 119.3° |
C16 | C17 | C12 | 119.0° | 119.7° |
C16 | C17 | H3 | 120.5° | 120.2° |
C17 | C16 | H4 | 119.4° | 119.5° |
C18 | C9 | C8 | 123.4° | 119.5° |
C9 | C18 | H8 | 109.5° | 109.4° |
C9 | C18 | H9 | 109.5° | 109.5° |
C9 | C18 | H10 | 109.5° | 109.4° |
C9 | C8 | C13 | 119.8° | 121.0° |
C9 | C8 | H1 | 120.1° | 119.5° |
C17 | C12 | C13 | 120.5° | 121.3° |
C12 | C17 | H3 | 120.5° | 120.2° |
C12 | C13 | C8 | 120.8° | 119.7° |
C12 | C13 | O20 | 119.6° | 120.2° |
C8 | C13 | O20 | 119.6° | 120.2° |
C13 | C8 | H1 | 120.1° | 119.5° |
C13 | O20 | H2 | 109.5° | 114.0° |
H8 | C18 | H9 | 109.5° | 109.4° |
H8 | C18 | H10 | 109.5° | 109.5° |
H9 | C18 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O19 | C10 | C11 | C14 | 0.0° | 0.0° |
O19 | C10 | C11 | C9 | 179.9° | 179.8° |
O19 | C10 | C11 | C12 | 179.9° | 180.0° |
O19 | C10 | C9 | C18 | 0.1° | 0.3° |
O19 | C10 | C9 | C8 | 179.8° | 179.7° |
C15 | C14 | C11 | H6 | 180.0° | 180.0° |
C14 | C15 | C16 | H5 | 180.0° | 180.0° |
C15 | C14 | C11 | C10 | 179.9° | 180.0° |
C15 | C14 | C11 | C12 | 0.0° | 0.0° |
C14 | C15 | C16 | C17 | 0.1° | 0.0° |
C14 | C15 | C16 | H4 | 179.9° | 180.0° |
C11 | C14 | C15 | C16 | 0.2° | 0.0° |
C14 | C11 | C10 | C12 | 180.0° | 180.0° |
C14 | C11 | C10 | C9 | 179.9° | 179.7° |
C14 | C11 | C12 | C17 | 0.1° | 0.0° |
C14 | C11 | C12 | C13 | 179.9° | 180.0° |
C11 | C14 | C15 | H5 | 179.8° | 180.0° |
C15 | C16 | C17 | H4 | 180.0° | 180.0° |
C15 | C16 | C17 | C12 | 0.0° | 0.0° |
C15 | C16 | C17 | H3 | 180.0° | 180.0° |
C16 | C15 | C14 | H6 | 179.8° | 179.9° |
C11 | C10 | C9 | C18 | 179.8° | 180.0° |
C11 | C10 | C9 | C8 | 0.3° | 0.6° |
C10 | C11 | C12 | C17 | 179.9° | 180.0° |
C10 | C11 | C12 | C13 | 0.1° | 0.0° |
C10 | C11 | C14 | H6 | 0.1° | 0.1° |
C11 | C10 | O19 | H7 | 180.0° | 90.0° |
C9 | C10 | C11 | C12 | 0.0° | 0.3° |
C10 | C9 | C18 | C8 | 180.0° | 179.4° |
C10 | C9 | C8 | C13 | 0.5° | 0.6° |
C10 | C9 | C8 | H1 | 179.5° | 179.8° |
C9 | C10 | O19 | H7 | 0.1° | 89.8° |
C10 | C9 | C18 | H8 | 90.0° | 90.0° |
C10 | C9 | C18 | H9 | 150.0° | 150.0° |
C10 | C9 | C18 | H10 | 30.0° | 30.0° |
C11 | C12 | C17 | C16 | 0.1° | 0.0° |
C11 | C12 | C17 | C13 | 180.0° | 180.0° |
C11 | C12 | C13 | C8 | 0.4° | 0.0° |
C11 | C12 | C13 | O20 | 179.6° | 180.0° |
C11 | C12 | C17 | H3 | 179.8° | 180.0° |
C12 | C11 | C14 | H6 | 179.9° | 180.0° |
C16 | C17 | C12 | H3 | 180.0° | 180.0° |
C16 | C17 | C12 | C13 | 179.9° | 180.0° |
C17 | C16 | C15 | H5 | 179.9° | 180.0° |
C18 | C9 | C8 | C13 | 179.5° | 180.0° |
C18 | C9 | C8 | H1 | 0.5° | 0.4° |
C9 | C18 | H8 | H9 | 120.0° | 120.0° |
C9 | C18 | H8 | H10 | 120.0° | 120.0° |
C9 | C18 | H9 | H10 | 120.0° | 120.0° |
C9 | C8 | C13 | C12 | 0.6° | 0.3° |
C9 | C8 | C13 | H1 | 180.0° | 179.6° |
C9 | C8 | C13 | O20 | 179.8° | 179.7° |
C8 | C9 | C18 | H8 | 90.0° | 90.6° |
C8 | C9 | C18 | H9 | 30.0° | 29.4° |
C8 | C9 | C18 | H10 | 150.0° | 149.4° |
C17 | C12 | C13 | C8 | 179.6° | 180.0° |
C17 | C12 | C13 | O20 | 0.4° | 0.0° |
C12 | C17 | C16 | H4 | 180.0° | 180.0° |
C12 | C13 | C8 | O20 | 179.2° | 180.0° |
C12 | C13 | C8 | H1 | 179.4° | 179.9° |
C12 | C13 | O20 | H2 | 180.0° | 89.9° |
C13 | C12 | C17 | H3 | 0.2° | 0.0° |
C8 | C13 | O20 | H2 | 0.8° | 90.1° |
O20 | C13 | C8 | H1 | 0.2° | 0.1° |
H3 | C17 | C16 | H4 | 0.0° | 0.0° |
H4 | C16 | C15 | H5 | 0.1° | 0.0° |
H5 | C15 | C14 | H6 | 0.2° | 0.0° |
H8 | C18 | H9 | H10 | 120.0° | 120.0° |