FVV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F11 | C10 | sing | 1.35Å | 1.33Å | |
C17 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
C16 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
C20 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
C18 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
C09 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
C09 | C07 | sing | 1.51Å | 1.51Å | |
C21 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
C07 | N02 | sing | 1.47Å | 1.45Å | |
C04 | N02 | sing | 1.38Å | 1.38Å | |
C04 | C05 | doub | 1.41Å | 1.36Å | Aromatic |
N02 | C01 | sing | 1.37Å | 1.52Å | |
C14 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
C05 | N03 | sing | 1.38Å | 1.40Å | |
C01 | N03 | sing | 1.38Å | 1.41Å | |
C01 | N06 | doub | 1.31Å | 1.28Å | |
N03 | C08 | sing | 1.47Å | 1.45Å | |
N06 | C12 | sing | 1.47Å | 1.45Å | |
C08 | C19 | sing | 1.54Å | 1.53Å | |
C12 | C19 | sing | 1.53Å | 1.53Å | |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C15 | H2 | sing | 1.08Å | 1.08Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C20 | H4 | sing | 1.08Å | 1.08Å | |
C21 | H5 | sing | 1.08Å | 1.08Å | |
C07 | H7 | sing | 1.09Å | 1.10Å | |
C07 | H8 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C08 | H10 | sing | 1.09Å | 1.10Å | |
C12 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C14 | H13 | sing | 1.08Å | 1.08Å | |
C16 | H14 | sing | 1.08Å | 1.08Å | |
C18 | H15 | sing | 1.08Å | 1.08Å | |
C19 | H16 | sing | 1.09Å | 1.10Å | |
C19 | H17 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F11 | C10 | C17 | 119.4° | 120.0° |
F11 | C10 | C18 | 118.8° | 120.0° |
C10 | C17 | C16 | 119.3° | 120.0° |
C17 | C10 | C18 | 121.8° | 119.9° |
C10 | C17 | H3 | 120.3° | 120.0° |
C17 | C16 | C09 | 119.4° | 120.0° |
C16 | C17 | H3 | 120.3° | 120.0° |
C17 | C16 | H14 | 120.3° | 120.0° |
C10 | C18 | C15 | 118.9° | 120.0° |
C10 | C18 | H15 | 120.5° | 120.0° |
C16 | C09 | C15 | 120.1° | 120.1° |
C16 | C09 | C07 | 119.9° | 119.9° |
C09 | C16 | H14 | 120.3° | 120.0° |
C13 | C20 | C21 | 120.5° | 121.8° |
C20 | C13 | C04 | 116.5° | 117.1° |
C20 | C13 | H1 | 121.8° | 121.5° |
C13 | C20 | H4 | 119.7° | 119.1° |
C20 | C21 | C14 | 122.4° | 121.8° |
C21 | C20 | H4 | 119.8° | 119.1° |
C20 | C21 | H5 | 118.8° | 119.1° |
C18 | C15 | C09 | 120.4° | 120.0° |
C18 | C15 | H2 | 119.8° | 120.0° |
C15 | C18 | H15 | 120.5° | 120.0° |
C13 | C04 | N02 | 127.4° | 131.2° |
C13 | C04 | C05 | 123.4° | 121.2° |
C04 | C13 | H1 | 121.7° | 121.4° |
C15 | C09 | C07 | 120.0° | 120.0° |
C09 | C15 | H2 | 119.8° | 120.0° |
C09 | C07 | N02 | 113.1° | 109.5° |
C09 | C07 | H7 | 108.6° | 109.4° |
C09 | C07 | H8 | 108.6° | 109.4° |
C21 | C14 | C05 | 116.7° | 117.2° |
C14 | C21 | H5 | 118.8° | 119.1° |
C21 | C14 | H13 | 121.7° | 121.4° |
C07 | N02 | C04 | 123.6° | 126.0° |
C07 | N02 | C01 | 127.7° | 126.0° |
N02 | C07 | H7 | 108.6° | 109.5° |
N02 | C07 | H8 | 108.6° | 109.5° |
N02 | C04 | C05 | 109.2° | 107.6° |
C04 | N02 | C01 | 108.7° | 108.0° |
C04 | C05 | C14 | 120.5° | 120.9° |
C04 | C05 | N03 | 108.8° | 107.4° |
N02 | C01 | N03 | 101.6° | 108.7° |
N02 | C01 | N06 | 131.5° | 128.1° |
C14 | C05 | N03 | 130.7° | 131.7° |
C05 | C14 | H13 | 121.6° | 121.4° |
C05 | N03 | C01 | 111.7° | 108.2° |
C05 | N03 | C08 | 126.2° | 129.1° |
N03 | C01 | N06 | 126.9° | 123.2° |
C01 | N03 | C08 | 122.1° | 122.7° |
C01 | N06 | C12 | 118.7° | 119.5° |
N03 | C08 | C19 | 110.5° | 107.4° |
N03 | C08 | H9 | 109.2° | 109.9° |
N03 | C08 | H10 | 109.2° | 109.9° |
N06 | C12 | C19 | 115.8° | 110.5° |
N06 | C12 | H11 | 107.9° | 109.3° |
N06 | C12 | H12 | 107.8° | 109.4° |
C08 | C19 | C12 | 116.1° | 109.4° |
C19 | C08 | H9 | 109.2° | 109.8° |
C19 | C08 | H10 | 109.2° | 109.8° |
C08 | C19 | H16 | 107.8° | 109.5° |
C08 | C19 | H17 | 107.8° | 109.5° |
C19 | C12 | H11 | 107.8° | 109.3° |
C19 | C12 | H12 | 107.9° | 109.3° |
C12 | C19 | H16 | 107.8° | 109.5° |
C12 | C19 | H17 | 107.8° | 109.4° |
H7 | C07 | H8 | 109.4° | 109.5° |
H9 | C08 | H10 | 109.5° | 109.9° |
H11 | C12 | H12 | 109.5° | 109.1° |
H16 | C19 | H17 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F11 | C10 | C17 | C18 | 179.6° | 179.7° |
F11 | C10 | C17 | C16 | 179.9° | 179.7° |
F11 | C10 | C18 | C15 | 180.0° | 179.7° |
F11 | C10 | C17 | H3 | 0.0° | 0.3° |
F11 | C10 | C18 | H15 | 0.0° | 0.3° |
C10 | C17 | C16 | H3 | 180.0° | 180.0° |
C10 | C17 | C16 | C09 | 0.2° | 0.0° |
C17 | C10 | C18 | C15 | 0.4° | 0.0° |
C10 | C17 | C16 | H14 | 179.8° | 180.0° |
C17 | C10 | C18 | H15 | 179.6° | 180.0° |
C16 | C17 | C10 | C18 | 0.3° | 0.0° |
C17 | C16 | C09 | H14 | 180.0° | 180.0° |
C17 | C16 | C09 | C15 | 0.6° | 0.0° |
C17 | C16 | C09 | C07 | 179.4° | 179.9° |
C10 | C18 | C15 | H15 | 180.0° | 180.0° |
C10 | C18 | C15 | C09 | 0.1° | 0.0° |
C10 | C18 | C15 | H2 | 179.9° | 180.0° |
C18 | C10 | C17 | H3 | 179.7° | 180.0° |
C16 | C09 | C15 | C18 | 0.6° | 0.0° |
C16 | C09 | C15 | C07 | 178.8° | 179.9° |
C16 | C09 | C07 | N02 | 134.7° | 90.0° |
C16 | C09 | C15 | H2 | 179.4° | 180.0° |
C09 | C16 | C17 | H3 | 179.8° | 180.0° |
C16 | C09 | C07 | H7 | 104.7° | 150.0° |
C16 | C09 | C07 | H8 | 14.2° | 30.0° |
C13 | C20 | C21 | H4 | 180.0° | 180.0° |
C20 | C13 | C04 | H1 | 180.0° | 179.7° |
C13 | C20 | C21 | C14 | 0.1° | 0.0° |
C20 | C13 | C04 | N02 | 179.7° | 179.7° |
C20 | C13 | C04 | C05 | 0.0° | 0.3° |
C13 | C20 | C21 | H5 | 179.9° | 180.0° |
C21 | C20 | C13 | C04 | 0.1° | 0.0° |
C20 | C21 | C14 | H5 | 180.0° | 180.0° |
C20 | C21 | C14 | C05 | 0.0° | 0.3° |
C21 | C20 | C13 | H1 | 179.9° | 179.7° |
C20 | C21 | C14 | H13 | 180.0° | 180.0° |
C18 | C15 | C09 | H2 | 180.0° | 180.0° |
C18 | C15 | C09 | C07 | 179.4° | 180.0° |
C13 | C04 | N02 | C07 | 1.8° | 0.5° |
C13 | C04 | N02 | C05 | 179.7° | 180.0° |
C13 | C04 | N02 | C01 | 179.6° | 179.5° |
C13 | C04 | C05 | C14 | 0.1° | 0.6° |
C13 | C04 | C05 | N03 | 179.9° | 179.9° |
C04 | C13 | C20 | H4 | 179.9° | 180.0° |
C15 | C09 | C07 | N02 | 46.5° | 90.0° |
C15 | C09 | C07 | H7 | 74.1° | 30.0° |
C15 | C09 | C07 | H8 | 167.0° | 150.0° |
C15 | C09 | C16 | H14 | 179.4° | 180.0° |
C09 | C15 | C18 | H15 | 179.9° | 180.0° |
C09 | C07 | N02 | H7 | 120.6° | 120.0° |
C09 | C07 | N02 | H8 | 120.5° | 120.0° |
C09 | C07 | N02 | C04 | 88.1° | 90.0° |
C09 | C07 | N02 | C01 | 94.6° | 90.0° |
C07 | C09 | C15 | H2 | 0.6° | 0.1° |
C09 | C07 | H7 | H8 | 118.3° | 120.0° |
C07 | C09 | C16 | H14 | 0.6° | 0.1° |
C21 | C14 | C05 | C04 | 0.1° | 0.6° |
C21 | C14 | C05 | H13 | 180.0° | 179.7° |
C21 | C14 | C05 | N03 | 179.9° | 179.9° |
C14 | C21 | C20 | H4 | 179.9° | 180.0° |
C07 | N02 | C04 | C01 | 177.7° | 180.0° |
C07 | N02 | C04 | C05 | 178.4° | 179.5° |
C07 | N02 | C01 | N03 | 178.5° | 179.1° |
C07 | N02 | C01 | N06 | 2.1° | 1.3° |
N02 | C07 | H7 | H8 | 118.4° | 120.0° |
N02 | C04 | C05 | C14 | 179.8° | 179.4° |
N02 | C04 | C05 | N03 | 0.2° | 0.1° |
C04 | N02 | C01 | N03 | 0.9° | 0.9° |
C04 | N02 | C01 | N06 | 179.7° | 178.8° |
N02 | C04 | C13 | H1 | 0.4° | 0.0° |
C04 | N02 | C07 | H7 | 151.3° | 29.9° |
C04 | N02 | C07 | H8 | 32.4° | 150.0° |
C05 | C04 | N02 | C01 | 0.7° | 0.5° |
C04 | C05 | C14 | N03 | 180.0° | 179.4° |
C04 | C05 | N03 | C01 | 0.5° | 0.6° |
C04 | C05 | N03 | C08 | 179.6° | 179.0° |
C05 | C04 | C13 | H1 | 180.0° | 180.0° |
C04 | C05 | C14 | H13 | 179.9° | 179.7° |
N02 | C01 | N03 | C05 | 0.8° | 0.9° |
N02 | C01 | N03 | N06 | 179.4° | 179.7° |
N02 | C01 | N03 | C08 | 180.0° | 178.8° |
N02 | C01 | N06 | C12 | 179.6° | 178.1° |
C01 | N02 | C07 | H7 | 26.0° | 150.0° |
C01 | N02 | C07 | H8 | 144.9° | 30.0° |
C14 | C05 | N03 | C01 | 179.5° | 178.8° |
C14 | C05 | N03 | C08 | 0.4° | 1.5° |
C05 | C14 | C21 | H5 | 180.0° | 179.7° |
C05 | N03 | C01 | C08 | 179.2° | 179.7° |
C05 | N03 | C01 | N06 | 179.7° | 178.7° |
C05 | N03 | C08 | C19 | 163.4° | 154.4° |
C05 | N03 | C08 | H9 | 76.4° | 35.0° |
C05 | N03 | C08 | H10 | 43.3° | 86.1° |
N03 | C05 | C14 | H13 | 0.1° | 0.3° |
N03 | C01 | N06 | C12 | 0.4° | 1.5° |
C01 | N03 | C08 | C19 | 17.5° | 25.2° |
C01 | N03 | C08 | H9 | 102.6° | 144.6° |
C01 | N03 | C08 | H10 | 137.6° | 94.3° |
N06 | C01 | N03 | C08 | 0.5° | 1.6° |
C01 | N06 | C12 | C19 | 18.0° | 31.5° |
C01 | N06 | C12 | H11 | 138.9° | 88.8° |
C01 | N06 | C12 | H12 | 102.9° | 151.8° |
N03 | C08 | C19 | H9 | 120.1° | 119.5° |
N03 | C08 | C19 | H10 | 120.1° | 119.5° |
N03 | C08 | C19 | C12 | 33.7° | 52.8° |
N03 | C08 | H9 | H10 | 119.6° | 121.1° |
N03 | C08 | C19 | H16 | 154.6° | 67.2° |
N03 | C08 | C19 | H17 | 87.2° | 172.8° |
N06 | C12 | C19 | C08 | 35.4° | 57.6° |
N06 | C12 | C19 | H11 | 120.9° | 120.3° |
N06 | C12 | C19 | H12 | 120.9° | 120.4° |
N06 | C12 | H11 | H12 | 117.1° | 119.6° |
N06 | C12 | C19 | H16 | 156.4° | 62.4° |
N06 | C12 | C19 | H17 | 85.5° | 177.5° |
C08 | C19 | C12 | H16 | 121.0° | 120.0° |
C08 | C19 | C12 | H17 | 120.9° | 120.0° |
C19 | C08 | H9 | H10 | 119.5° | 121.0° |
C08 | C19 | C12 | H11 | 156.3° | 62.7° |
C08 | C19 | C12 | H12 | 85.5° | 177.9° |
C08 | C19 | H16 | H17 | 117.0° | 120.1° |
C12 | C19 | C08 | H9 | 86.4° | 172.3° |
C12 | C19 | C08 | H10 | 153.8° | 66.7° |
C19 | C12 | H11 | H12 | 117.1° | 119.4° |
C12 | C19 | H16 | H17 | 117.0° | 120.0° |
H1 | C13 | C20 | H4 | 0.1° | 0.3° |
H2 | C15 | C18 | H15 | 0.1° | 0.0° |
H3 | C17 | C16 | H14 | 0.2° | 0.0° |
H4 | C20 | C21 | H5 | 0.1° | 0.0° |
H5 | C21 | C14 | H13 | 0.0° | 0.0° |
H9 | C08 | C19 | H16 | 34.5° | 52.3° |
H9 | C08 | C19 | H17 | 152.6° | 67.8° |
H10 | C08 | C19 | H16 | 85.2° | 173.3° |
H10 | C08 | C19 | H17 | 32.9° | 53.3° |
H11 | C12 | C19 | H16 | 82.7° | 177.3° |
H11 | C12 | C19 | H17 | 35.4° | 57.2° |
H12 | C12 | C19 | H16 | 35.4° | 57.9° |
H12 | C12 | C19 | H17 | 153.6° | 62.1° |