EFX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C | doub | 1.21Å | 1.25Å | |
C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
C11 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
C | C1 | sing | 1.48Å | 1.51Å | |
C | O | sing | 1.35Å | 1.26Å | |
C9 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
C14 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
C3 | C4 | sing | 1.48Å | 1.49Å | |
C3 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.48Å | 1.49Å | |
O3 | C7 | doub | 1.22Å | 1.21Å | |
C7 | O2 | sing | 1.35Å | 1.33Å | |
O2 | C8 | sing | 1.45Å | 1.45Å | |
O | H11 | sing | 0.97Å | 0.95Å | |
C10 | H6 | sing | 1.08Å | 1.08Å | |
C11 | H7 | sing | 1.08Å | 1.08Å | |
C12 | H8 | sing | 1.08Å | 1.08Å | |
C13 | H9 | sing | 1.08Å | 1.08Å | |
C14 | H10 | sing | 1.08Å | 1.08Å | |
C2 | H | sing | 1.08Å | 1.08Å | |
C5 | H1 | sing | 1.08Å | 1.08Å | |
C8 | H3 | sing | 1.09Å | 1.10Å | |
C8 | H4 | sing | 1.09Å | 1.10Å | |
C8 | H2 | sing | 1.09Å | 1.10Å | |
C9 | H5 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C | C1 | 117.8° | 120.0° |
O1 | C | O | 124.6° | 120.0° |
C11 | C10 | C9 | 120.2° | 120.3° |
C10 | C11 | C4 | 120.7° | 120.2° |
C11 | C10 | H6 | 119.9° | 119.8° |
C10 | C11 | H7 | 119.6° | 120.0° |
C10 | C9 | C6 | 120.2° | 120.1° |
C9 | C10 | H6 | 119.9° | 119.9° |
C10 | C9 | H5 | 119.9° | 119.9° |
C11 | C4 | C3 | 121.1° | 120.1° |
C11 | C4 | C5 | 118.3° | 119.9° |
C4 | C11 | H7 | 119.7° | 119.9° |
C1 | C | O | 117.6° | 120.0° |
C | C1 | C14 | 120.7° | 120.1° |
C | C1 | C2 | 120.0° | 120.0° |
C | O | H11 | 109.5° | 117.0° |
C9 | C6 | C5 | 119.2° | 119.8° |
C9 | C6 | C7 | 120.9° | 120.1° |
C6 | C9 | H5 | 119.9° | 119.9° |
C1 | C14 | C13 | 120.2° | 120.1° |
C14 | C1 | C2 | 119.3° | 119.9° |
C1 | C14 | H10 | 119.9° | 120.0° |
C14 | C13 | C12 | 120.2° | 120.3° |
C14 | C13 | H9 | 119.9° | 119.8° |
C13 | C14 | H10 | 119.9° | 120.0° |
C1 | C2 | C3 | 121.2° | 119.7° |
C1 | C2 | H | 119.4° | 120.2° |
C13 | C12 | C3 | 120.8° | 120.2° |
C13 | C12 | H8 | 119.6° | 119.9° |
C12 | C13 | H9 | 119.9° | 119.9° |
C2 | C3 | C4 | 120.3° | 120.0° |
C2 | C3 | C12 | 118.3° | 119.9° |
C3 | C2 | H | 119.4° | 120.2° |
C4 | C3 | C12 | 121.2° | 120.1° |
C3 | C4 | C5 | 120.5° | 120.0° |
C3 | C12 | H8 | 119.6° | 119.9° |
C4 | C5 | C6 | 120.9° | 119.7° |
C4 | C5 | H1 | 119.5° | 120.2° |
C5 | C6 | C7 | 120.0° | 120.0° |
C6 | C5 | H1 | 119.5° | 120.1° |
C6 | C7 | O3 | 124.4° | 120.1° |
C6 | C7 | O2 | 112.3° | 120.0° |
O3 | C7 | O2 | 123.3° | 119.9° |
C7 | O2 | C8 | 116.0° | 117.0° |
O2 | C8 | H3 | 109.5° | 109.4° |
O2 | C8 | H4 | 109.4° | 109.5° |
O2 | C8 | H2 | 109.5° | 109.5° |
H3 | C8 | H4 | 109.5° | 109.5° |
H3 | C8 | H2 | 109.5° | 109.5° |
H4 | C8 | H2 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C | C1 | O | 179.4° | 179.8° |
O1 | C | C1 | C14 | 14.5° | 179.4° |
O1 | C | C1 | C2 | 164.1° | 0.2° |
O1 | C | O | H11 | 0.0° | 0.2° |
C11 | C10 | C9 | H6 | 180.0° | 179.8° |
C10 | C11 | C4 | H7 | 180.0° | 180.0° |
C11 | C10 | C9 | C6 | 2.2° | 0.0° |
C10 | C11 | C4 | C3 | 170.3° | 180.0° |
C10 | C11 | C4 | C5 | 4.6° | 0.0° |
C11 | C10 | C9 | H5 | 177.8° | 180.0° |
C9 | C10 | C11 | C4 | 0.9° | 0.0° |
C10 | C9 | C6 | H5 | 180.0° | 180.0° |
C10 | C9 | C6 | C5 | 2.1° | 0.0° |
C10 | C9 | C6 | C7 | 179.1° | 180.0° |
C9 | C10 | C11 | H7 | 179.1° | 179.9° |
C11 | C4 | C3 | C2 | 148.1° | 0.1° |
C11 | C4 | C3 | C5 | 174.8° | 180.0° |
C11 | C4 | C3 | C12 | 27.7° | 180.0° |
C11 | C4 | C5 | C6 | 9.0° | 0.0° |
C4 | C11 | C10 | H6 | 179.1° | 179.8° |
C11 | C4 | C5 | H1 | 171.0° | 179.9° |
C | C1 | C14 | C2 | 178.6° | 179.7° |
C | C1 | C14 | C13 | 178.6° | 180.0° |
C | C1 | C2 | C3 | 177.3° | 180.0° |
C1 | C | O | H11 | 179.4° | 180.0° |
C | C1 | C14 | H10 | 1.4° | 0.1° |
C | C1 | C2 | H | 2.8° | 0.0° |
O | C | C1 | C14 | 166.1° | 0.3° |
O | C | C1 | C2 | 15.3° | 180.0° |
C9 | C6 | C5 | C4 | 7.8° | 0.0° |
C9 | C6 | C5 | C7 | 178.8° | 179.9° |
C9 | C6 | C7 | O3 | 1.6° | 180.0° |
C9 | C6 | C7 | O2 | 178.8° | 0.0° |
C6 | C9 | C10 | H6 | 177.8° | 179.8° |
C9 | C6 | C5 | H1 | 172.2° | 180.0° |
C1 | C14 | C13 | H10 | 180.0° | 179.9° |
C1 | C14 | C13 | C12 | 0.6° | 0.1° |
C14 | C1 | C2 | C3 | 1.4° | 0.3° |
C1 | C14 | C13 | H9 | 179.4° | 180.0° |
C14 | C1 | C2 | H | 178.6° | 179.7° |
C13 | C14 | C1 | C2 | 0.0° | 0.3° |
C14 | C13 | C12 | H9 | 180.0° | 179.9° |
C14 | C13 | C12 | C3 | 0.1° | 0.1° |
C14 | C13 | C12 | H8 | 179.9° | 180.0° |
C1 | C2 | C3 | H | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 173.8° | 180.0° |
C1 | C2 | C3 | C12 | 2.1° | 0.1° |
C2 | C1 | C14 | H10 | 180.0° | 179.8° |
C13 | C12 | C3 | C2 | 1.4° | 0.1° |
C13 | C12 | C3 | C4 | 174.4° | 179.8° |
C13 | C12 | C3 | H8 | 180.0° | 179.8° |
C12 | C13 | C14 | H10 | 179.4° | 180.0° |
C2 | C3 | C4 | C12 | 175.8° | 179.9° |
C2 | C3 | C4 | C5 | 26.7° | 180.0° |
C2 | C3 | C12 | H8 | 178.5° | 180.0° |
C3 | C4 | C5 | C6 | 165.9° | 180.0° |
C3 | C4 | C11 | H7 | 9.7° | 0.0° |
C4 | C3 | C12 | H8 | 5.6° | 0.0° |
C4 | C3 | C2 | H | 6.2° | 0.0° |
C3 | C4 | C5 | H1 | 14.1° | 0.0° |
C12 | C3 | C4 | C5 | 157.5° | 0.0° |
C3 | C12 | C13 | H9 | 179.8° | 179.8° |
C12 | C3 | C2 | H | 177.9° | 179.9° |
C4 | C5 | C6 | H1 | 180.0° | 179.9° |
C4 | C5 | C6 | C7 | 173.4° | 180.0° |
C5 | C4 | C11 | H7 | 175.4° | 179.9° |
C5 | C6 | C7 | O3 | 179.6° | 0.0° |
C5 | C6 | C7 | O2 | 0.0° | 180.0° |
C5 | C6 | C9 | H5 | 177.8° | 179.9° |
C6 | C7 | O3 | O2 | 179.5° | 180.0° |
C6 | C7 | O2 | C8 | 177.0° | 180.0° |
C7 | C6 | C5 | H1 | 6.6° | 0.1° |
C7 | C6 | C9 | H5 | 1.0° | 0.0° |
O3 | C7 | O2 | C8 | 2.6° | 0.0° |
C7 | O2 | C8 | H3 | 180.0° | 60.0° |
C7 | O2 | C8 | H4 | 60.0° | 60.0° |
C7 | O2 | C8 | H2 | 60.0° | 180.0° |
O2 | C8 | H3 | H4 | 120.0° | 120.0° |
O2 | C8 | H3 | H2 | 120.0° | 120.0° |
O2 | C8 | H4 | H2 | 120.0° | 120.0° |
H6 | C10 | C11 | H7 | 0.9° | 0.3° |
H6 | C10 | C9 | H5 | 2.2° | 0.2° |
H8 | C12 | C13 | H9 | 0.2° | 0.1° |
H9 | C13 | C14 | H10 | 0.6° | 0.1° |
H3 | C8 | H4 | H2 | 120.0° | 120.0° |