5C8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O08 | C07 | sing | 1.36Å | 1.38Å | |
C09 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
C10 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
C04 | C03 | sing | 1.48Å | 1.49Å | |
C03 | C11 | sing | 1.48Å | 1.49Å | |
C03 | C02 | doub | 1.36Å | 1.38Å | |
C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C11 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C14 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | O15 | sing | 1.36Å | 1.38Å | |
C01 | C02 | sing | 1.51Å | 1.49Å | |
C02 | C18 | sing | 1.47Å | 1.49Å | |
C18 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
C18 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
C27 | C26 | sing | 1.40Å | 1.43Å | Aromatic |
C19 | C20 | doub | 1.36Å | 1.39Å | Aromatic |
C26 | C25 | doub | 1.41Å | 1.42Å | Aromatic |
C26 | C21 | sing | 1.42Å | 1.37Å | Aromatic |
C25 | C24 | sing | 1.36Å | 1.39Å | Aromatic |
C20 | C21 | sing | 1.41Å | 1.43Å | Aromatic |
C21 | C22 | doub | 1.40Å | 1.43Å | Aromatic |
C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
C22 | C23 | sing | 1.36Å | 1.39Å | Aromatic |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C05 | H4 | sing | 1.08Å | 1.08Å | |
C06 | H5 | sing | 1.08Å | 1.08Å | |
O08 | H6 | sing | 0.97Å | 0.95Å | |
C09 | H7 | sing | 1.08Å | 1.08Å | |
C10 | H8 | sing | 1.08Å | 1.08Å | |
C12 | H9 | sing | 1.08Å | 1.08Å | |
C13 | H10 | sing | 1.08Å | 1.08Å | |
O15 | H11 | sing | 0.97Å | 0.95Å | |
C16 | H12 | sing | 1.08Å | 1.08Å | |
C17 | H13 | sing | 1.08Å | 1.08Å | |
C19 | H14 | sing | 1.08Å | 1.08Å | |
C20 | H15 | sing | 1.08Å | 1.08Å | |
C22 | H16 | sing | 1.08Å | 1.08Å | |
C23 | H17 | sing | 1.08Å | 1.08Å | |
C24 | H18 | sing | 1.08Å | 1.08Å | |
C25 | H19 | sing | 1.08Å | 1.08Å | |
C27 | H20 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O08 | C07 | C09 | 120.3° | 119.9° |
O08 | C07 | C06 | 119.8° | 119.9° |
C07 | O08 | H6 | 109.5° | 114.0° |
C07 | C09 | C10 | 120.1° | 120.1° |
C09 | C07 | C06 | 119.9° | 120.1° |
C07 | C09 | H7 | 119.9° | 120.0° |
C09 | C10 | C04 | 120.2° | 119.9° |
C10 | C09 | H7 | 120.0° | 119.9° |
C09 | C10 | H8 | 119.9° | 120.1° |
C07 | C06 | C05 | 120.2° | 120.1° |
C07 | C06 | H5 | 119.9° | 119.9° |
C10 | C04 | C05 | 119.6° | 119.8° |
C10 | C04 | C03 | 119.7° | 120.1° |
C04 | C10 | H8 | 119.9° | 120.0° |
C06 | C05 | C04 | 120.1° | 120.0° |
C06 | C05 | H4 | 119.9° | 120.0° |
C05 | C06 | H5 | 119.9° | 120.0° |
C05 | C04 | C03 | 120.7° | 120.1° |
C04 | C05 | H4 | 120.0° | 120.0° |
C04 | C03 | C11 | 116.4° | 120.0° |
C04 | C03 | C02 | 122.1° | 120.0° |
C11 | C03 | C02 | 121.4° | 120.0° |
C03 | C11 | C12 | 119.7° | 120.1° |
C03 | C11 | C17 | 120.6° | 120.1° |
C03 | C02 | C01 | 121.6° | 120.0° |
C03 | C02 | C18 | 120.7° | 120.0° |
C11 | C12 | C13 | 120.5° | 119.9° |
C12 | C11 | C17 | 119.7° | 119.8° |
C11 | C12 | H9 | 119.8° | 120.0° |
C12 | C13 | C14 | 119.8° | 120.1° |
C13 | C12 | H9 | 119.8° | 120.0° |
C12 | C13 | H10 | 120.1° | 120.0° |
C11 | C17 | C16 | 120.0° | 119.9° |
C11 | C17 | H13 | 120.0° | 120.1° |
C13 | C14 | C16 | 120.0° | 120.2° |
C13 | C14 | O15 | 119.5° | 119.9° |
C14 | C13 | H10 | 120.1° | 119.9° |
C17 | C16 | C14 | 120.0° | 120.1° |
C17 | C16 | H12 | 120.0° | 120.0° |
C16 | C17 | H13 | 120.0° | 120.0° |
C16 | C14 | O15 | 120.5° | 119.9° |
C14 | C16 | H12 | 120.0° | 120.0° |
C14 | O15 | H11 | 109.5° | 114.0° |
C01 | C02 | C18 | 117.6° | 120.0° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.4° |
C02 | C01 | H3 | 109.5° | 109.5° |
C02 | C18 | C27 | 119.8° | 119.8° |
C02 | C18 | C19 | 120.3° | 119.8° |
C27 | C18 | C19 | 119.9° | 120.5° |
C18 | C27 | C26 | 119.8° | 119.4° |
C18 | C27 | H20 | 120.1° | 120.3° |
C18 | C19 | C20 | 120.4° | 120.8° |
C18 | C19 | H14 | 119.8° | 119.6° |
C27 | C26 | C25 | 120.0° | 121.1° |
C27 | C26 | C21 | 120.2° | 119.5° |
C26 | C27 | H20 | 120.1° | 120.3° |
C19 | C20 | C21 | 119.7° | 120.1° |
C20 | C19 | H14 | 119.8° | 119.7° |
C19 | C20 | H15 | 120.1° | 119.9° |
C25 | C26 | C21 | 119.9° | 119.4° |
C26 | C25 | C24 | 119.9° | 119.6° |
C26 | C25 | H19 | 120.0° | 120.2° |
C26 | C21 | C20 | 120.1° | 119.7° |
C26 | C21 | C22 | 120.2° | 119.3° |
C25 | C24 | C23 | 120.2° | 121.0° |
C25 | C24 | H18 | 119.9° | 119.5° |
C24 | C25 | H19 | 120.1° | 120.2° |
C20 | C21 | C22 | 119.7° | 121.0° |
C21 | C20 | H15 | 120.2° | 120.0° |
C21 | C22 | C23 | 119.9° | 119.7° |
C21 | C22 | H16 | 120.0° | 120.1° |
C24 | C23 | C22 | 119.9° | 121.0° |
C24 | C23 | H17 | 120.0° | 119.5° |
C23 | C24 | H18 | 119.9° | 119.5° |
C23 | C22 | H16 | 120.1° | 120.1° |
C22 | C23 | H17 | 120.1° | 119.5° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O08 | C07 | C09 | C06 | 179.9° | 180.0° |
O08 | C07 | C09 | C10 | 179.9° | 179.7° |
O08 | C07 | C06 | C05 | 179.6° | 180.0° |
O08 | C07 | C06 | H5 | 0.4° | 0.0° |
O08 | C07 | C09 | H7 | 0.1° | 0.0° |
C07 | C09 | C10 | H7 | 180.0° | 179.8° |
C07 | C09 | C10 | C04 | 0.2° | 0.5° |
C09 | C07 | C06 | C05 | 0.5° | 0.0° |
C09 | C07 | C06 | H5 | 179.5° | 180.0° |
C09 | C07 | O08 | H6 | 180.0° | 90.0° |
C07 | C09 | C10 | H8 | 179.8° | 180.0° |
C10 | C09 | C07 | C06 | 0.1° | 0.2° |
C09 | C10 | C04 | H8 | 180.0° | 179.5° |
C09 | C10 | C04 | C05 | 0.8° | 0.6° |
C09 | C10 | C04 | C03 | 179.5° | 179.7° |
C07 | C06 | C05 | H5 | 180.0° | 180.0° |
C07 | C06 | C05 | C04 | 1.1° | 0.1° |
C07 | C06 | C05 | H4 | 178.9° | 180.0° |
C06 | C07 | O08 | H6 | 0.1° | 90.0° |
C06 | C07 | C09 | H7 | 179.9° | 180.0° |
C10 | C04 | C05 | C06 | 1.2° | 0.3° |
C10 | C04 | C05 | C03 | 178.7° | 179.7° |
C10 | C04 | C03 | C11 | 60.8° | 114.8° |
C10 | C04 | C03 | C02 | 115.8° | 65.3° |
C10 | C04 | C05 | H4 | 178.7° | 179.8° |
C04 | C10 | C09 | H7 | 179.8° | 179.7° |
C06 | C05 | C04 | H4 | 180.0° | 179.9° |
C06 | C05 | C04 | C03 | 179.9° | 180.0° |
C05 | C04 | C03 | C11 | 117.9° | 64.9° |
C05 | C04 | C03 | C02 | 65.5° | 115.0° |
C04 | C05 | C06 | H5 | 178.9° | 179.9° |
C05 | C04 | C10 | H8 | 179.2° | 179.9° |
C04 | C03 | C11 | C02 | 176.6° | 179.9° |
C04 | C03 | C11 | C12 | 112.8° | 115.3° |
C04 | C03 | C11 | C17 | 66.3° | 65.0° |
C04 | C03 | C02 | C01 | 10.7° | 0.0° |
C04 | C03 | C02 | C18 | 172.8° | 179.9° |
C03 | C04 | C05 | H4 | 0.0° | 0.1° |
C03 | C04 | C10 | H8 | 0.5° | 0.2° |
C03 | C11 | C12 | C17 | 179.1° | 179.7° |
C03 | C11 | C12 | C13 | 179.7° | 180.0° |
C03 | C11 | C17 | C16 | 179.6° | 179.8° |
C11 | C03 | C02 | C01 | 165.8° | 180.0° |
C11 | C03 | C02 | C18 | 10.7° | 0.0° |
C03 | C11 | C12 | H9 | 0.3° | 0.1° |
C03 | C11 | C17 | H13 | 0.4° | 0.0° |
C02 | C03 | C11 | C12 | 63.8° | 64.7° |
C02 | C03 | C11 | C17 | 117.1° | 115.0° |
C03 | C02 | C01 | C18 | 176.6° | 180.0° |
C03 | C02 | C18 | C27 | 114.7° | 115.0° |
C03 | C02 | C18 | C19 | 65.5° | 64.8° |
C03 | C02 | C01 | H1 | 180.0° | 90.0° |
C03 | C02 | C01 | H2 | 60.0° | 30.0° |
C03 | C02 | C01 | H3 | 60.0° | 150.0° |
C11 | C12 | C13 | H9 | 180.0° | 179.9° |
C11 | C12 | C13 | C14 | 0.3° | 0.0° |
C12 | C11 | C17 | C16 | 0.5° | 0.5° |
C11 | C12 | C13 | H10 | 179.7° | 180.0° |
C12 | C11 | C17 | H13 | 179.5° | 179.7° |
C13 | C12 | C11 | C17 | 0.6° | 0.3° |
C12 | C13 | C14 | H10 | 180.0° | 180.0° |
C12 | C13 | C14 | C16 | 0.1° | 0.0° |
C12 | C13 | C14 | O15 | 180.0° | 180.0° |
C11 | C17 | C16 | H13 | 180.0° | 179.7° |
C11 | C17 | C16 | C14 | 0.1° | 0.5° |
C17 | C11 | C12 | H9 | 179.4° | 179.8° |
C11 | C17 | C16 | H12 | 179.8° | 179.7° |
C13 | C14 | C16 | C17 | 0.2° | 0.2° |
C13 | C14 | C16 | O15 | 179.9° | 180.0° |
C14 | C13 | C12 | H9 | 179.7° | 180.0° |
C13 | C14 | O15 | H11 | 180.0° | 90.1° |
C13 | C14 | C16 | H12 | 179.9° | 180.0° |
C17 | C16 | C14 | H12 | 180.0° | 179.8° |
C17 | C16 | C14 | O15 | 179.9° | 179.8° |
C16 | C14 | C13 | H10 | 179.9° | 180.0° |
C16 | C14 | O15 | H11 | 0.1° | 90.0° |
C14 | C16 | C17 | H13 | 179.9° | 179.8° |
O15 | C14 | C13 | H10 | 0.0° | 0.1° |
O15 | C14 | C16 | H12 | 0.1° | 0.0° |
C01 | C02 | C18 | C27 | 62.0° | 64.9° |
C01 | C02 | C18 | C19 | 117.8° | 115.3° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.1° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C02 | C18 | C27 | C19 | 179.8° | 179.8° |
C02 | C18 | C27 | C26 | 180.0° | 179.6° |
C02 | C18 | C19 | C20 | 179.8° | 180.0° |
C18 | C02 | C01 | H1 | 3.4° | 90.0° |
C18 | C02 | C01 | H2 | 123.4° | 150.0° |
C18 | C02 | C01 | H3 | 116.6° | 30.1° |
C02 | C18 | C19 | H14 | 0.2° | 0.0° |
C02 | C18 | C27 | H20 | 0.0° | 0.0° |
C18 | C27 | C26 | H20 | 180.0° | 179.6° |
C27 | C18 | C19 | C20 | 0.4° | 0.3° |
C18 | C27 | C26 | C25 | 180.0° | 179.7° |
C18 | C27 | C26 | C21 | 0.1° | 0.6° |
C27 | C18 | C19 | H14 | 179.6° | 179.8° |
C19 | C18 | C27 | C26 | 0.2° | 0.6° |
C18 | C19 | C20 | H14 | 180.0° | 180.0° |
C18 | C19 | C20 | C21 | 0.4° | 0.0° |
C18 | C19 | C20 | H15 | 179.6° | 180.0° |
C19 | C18 | C27 | H20 | 179.8° | 179.8° |
C27 | C26 | C25 | C21 | 180.0° | 179.6° |
C27 | C26 | C25 | C24 | 179.9° | 179.7° |
C27 | C26 | C21 | C20 | 0.1° | 0.3° |
C27 | C26 | C21 | C22 | 179.9° | 179.7° |
C27 | C26 | C25 | H19 | 0.1° | 0.4° |
C19 | C20 | C21 | C26 | 0.2° | 0.0° |
C19 | C20 | C21 | H15 | 180.0° | 180.0° |
C19 | C20 | C21 | C22 | 179.8° | 180.0° |
C26 | C25 | C24 | H19 | 180.0° | 180.0° |
C25 | C26 | C21 | C20 | 180.0° | 180.0° |
C25 | C26 | C21 | C22 | 0.0° | 0.0° |
C26 | C25 | C24 | C23 | 0.1° | 0.0° |
C26 | C25 | C24 | H18 | 179.9° | 180.0° |
C25 | C26 | C27 | H20 | 0.0° | 0.1° |
C21 | C26 | C25 | C24 | 0.0° | 0.0° |
C26 | C21 | C20 | C22 | 180.0° | 180.0° |
C26 | C21 | C22 | C23 | 0.1° | 0.0° |
C26 | C21 | C20 | H15 | 179.8° | 180.0° |
C26 | C21 | C22 | H16 | 179.9° | 179.9° |
C21 | C26 | C25 | H19 | 179.9° | 180.0° |
C21 | C26 | C27 | H20 | 179.9° | 179.7° |
C25 | C24 | C23 | H18 | 180.0° | 180.0° |
C25 | C24 | C23 | C22 | 0.2° | 0.0° |
C25 | C24 | C23 | H17 | 179.8° | 180.0° |
C20 | C21 | C22 | C23 | 179.9° | 180.0° |
C21 | C20 | C19 | H14 | 179.6° | 180.0° |
C20 | C21 | C22 | H16 | 0.1° | 0.1° |
C21 | C22 | C23 | C24 | 0.2° | 0.0° |
C21 | C22 | C23 | H16 | 180.0° | 180.0° |
C22 | C21 | C20 | H15 | 0.2° | 0.0° |
C21 | C22 | C23 | H17 | 179.8° | 180.0° |
C24 | C23 | C22 | H17 | 180.0° | 179.9° |
C24 | C23 | C22 | H16 | 179.9° | 179.9° |
C23 | C24 | C25 | H19 | 179.9° | 180.0° |
C22 | C23 | C24 | H18 | 179.8° | 179.9° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H4 | C05 | C06 | H5 | 1.1° | 0.0° |
H7 | C09 | C10 | H8 | 0.2° | 0.2° |
H9 | C12 | C13 | H10 | 0.3° | 0.1° |
H12 | C16 | C17 | H13 | 0.2° | 0.0° |
H14 | C19 | C20 | H15 | 0.4° | 0.0° |
H16 | C22 | C23 | H17 | 0.2° | 0.0° |
H17 | C23 | C24 | H18 | 0.2° | 0.0° |
H18 | C24 | C25 | H19 | 0.1° | 0.0° |