Y8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | CL1 | sing | 1.74Å | 1.74Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | N6 | sing | 1.40Å | 1.36Å | |
| N6 | C13 | sing | 1.47Å | 1.44Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| O1 | C12 | doub | 1.21Å | 1.23Å | |
| C12 | N5 | sing | 1.35Å | 1.33Å | |
| N5 | C8 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | doub | 1.34Å | 1.36Å | Aromatic |
| C6 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | C2 | sing | 1.46Å | 1.42Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | N4 | sing | 1.47Å | 1.46Å | |
| N3 | C3 | sing | 1.37Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.43Å | Aromatic |
| C3 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| N4 | C1 | sing | 1.38Å | 1.36Å | |
| N4 | C11 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C1 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C4 | doub | 1.32Å | 1.33Å | Aromatic |
| N2 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C18 | C17 | C16 | 118.7° | 120.2° |
| C18 | C17 | H13 | 120.7° | 119.9° |
| C17 | C18 | H16 | 119.7° | 120.0° |
| C18 | C19 | C14 | 120.2° | 120.0° |
| C19 | C18 | H16 | 119.7° | 120.0° |
| C18 | C19 | H17 | 119.9° | 120.0° |
| C17 | C16 | CL1 | 119.1° | 119.9° |
| C17 | C16 | C15 | 122.3° | 120.0° |
| C16 | C17 | H13 | 120.6° | 119.9° |
| C19 | C14 | C15 | 119.8° | 119.8° |
| C19 | C14 | N6 | 119.7° | 120.1° |
| C14 | C19 | H17 | 119.9° | 120.0° |
| CL1 | C16 | C15 | 118.6° | 120.0° |
| C16 | C15 | C14 | 118.4° | 119.9° |
| C16 | C15 | H12 | 120.8° | 120.0° |
| C15 | C14 | N6 | 120.5° | 120.1° |
| C14 | C15 | H12 | 120.8° | 120.0° |
| C14 | N6 | C13 | 124.3° | 120.0° |
| C14 | N6 | H21 | 105.6° | 120.0° |
| N6 | C13 | C12 | 111.6° | 109.5° |
| N6 | C13 | H10 | 108.9° | 109.5° |
| N6 | C13 | H11 | 109.0° | 109.4° |
| C13 | N6 | H21 | 105.7° | 119.9° |
| C13 | C12 | O1 | 121.3° | 120.0° |
| C13 | C12 | N5 | 115.5° | 120.0° |
| C12 | C13 | H10 | 109.0° | 109.5° |
| C12 | C13 | H11 | 109.0° | 109.5° |
| O1 | C12 | N5 | 123.1° | 120.0° |
| C12 | N5 | C8 | 124.8° | 120.0° |
| C12 | N5 | H20 | 117.6° | 120.0° |
| N5 | C8 | C7 | 111.3° | 109.5° |
| N5 | C8 | C9 | 110.7° | 109.5° |
| N5 | C8 | H7 | 108.6° | 109.5° |
| C8 | N5 | H20 | 117.6° | 119.9° |
| C5 | C6 | N3 | 110.3° | 109.8° |
| C6 | C5 | C2 | 106.6° | 106.8° |
| C6 | C5 | H3 | 126.7° | 126.7° |
| C5 | C6 | H4 | 124.8° | 125.1° |
| C6 | N3 | C3 | 108.0° | 110.0° |
| C6 | N3 | H1 | 126.0° | 125.0° |
| N3 | C6 | H4 | 124.9° | 125.1° |
| C5 | C2 | C3 | 106.7° | 106.2° |
| C5 | C2 | C1 | 137.2° | 135.1° |
| C2 | C5 | H3 | 126.7° | 126.6° |
| C7 | C8 | C9 | 110.9° | 109.3° |
| C8 | C7 | N4 | 110.0° | 109.5° |
| C8 | C7 | H5 | 109.3° | 109.4° |
| C8 | C7 | H6 | 109.3° | 109.5° |
| C7 | C8 | H7 | 107.6° | 109.5° |
| C8 | C9 | C10 | 111.5° | 109.1° |
| C9 | C8 | H7 | 107.7° | 109.5° |
| C8 | C9 | H18 | 109.0° | 109.5° |
| C8 | C9 | H19 | 109.0° | 109.5° |
| C7 | N4 | C1 | 124.4° | 111.0° |
| C7 | N4 | C11 | 113.1° | 111.2° |
| N4 | C7 | H5 | 109.3° | 109.4° |
| N4 | C7 | H6 | 109.3° | 109.5° |
| N3 | C3 | C2 | 108.3° | 107.1° |
| N3 | C3 | N1 | 126.7° | 134.3° |
| C3 | N3 | H1 | 126.0° | 125.0° |
| C9 | C10 | C11 | 110.7° | 109.3° |
| C9 | C10 | H8 | 109.1° | 109.5° |
| C9 | C10 | H9 | 109.2° | 109.5° |
| C10 | C9 | H18 | 109.0° | 109.6° |
| C10 | C9 | H19 | 109.0° | 109.5° |
| C3 | C2 | C1 | 116.2° | 118.6° |
| C2 | C3 | N1 | 125.0° | 118.6° |
| C2 | C1 | N4 | 124.5° | 120.8° |
| C2 | C1 | N2 | 118.4° | 118.3° |
| C3 | N1 | C4 | 113.5° | 120.7° |
| C1 | N4 | C11 | 122.4° | 111.0° |
| N4 | C1 | N2 | 117.0° | 120.8° |
| N4 | C11 | C10 | 110.0° | 109.5° |
| N4 | C11 | H14 | 109.3° | 109.5° |
| N4 | C11 | H15 | 109.3° | 109.4° |
| C11 | C10 | H8 | 109.2° | 109.5° |
| C11 | C10 | H9 | 109.2° | 109.5° |
| C10 | C11 | H14 | 109.3° | 109.4° |
| C10 | C11 | H15 | 109.3° | 109.5° |
| C1 | N2 | C4 | 119.5° | 121.0° |
| N1 | C4 | N2 | 127.4° | 122.7° |
| N1 | C4 | H2 | 116.3° | 118.7° |
| N2 | C4 | H2 | 116.3° | 118.6° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H16 | 180.0° | 179.7° |
| C18 | C17 | C16 | H13 | 180.0° | 179.9° |
| C17 | C18 | C19 | C14 | 0.5° | 0.3° |
| C18 | C17 | C16 | CL1 | 179.7° | 179.9° |
| C18 | C17 | C16 | C15 | 0.5° | 0.1° |
| C17 | C18 | C19 | H17 | 179.5° | 180.0° |
| C19 | C18 | C17 | C16 | 0.6° | 0.4° |
| C18 | C19 | C14 | H17 | 180.0° | 179.7° |
| C18 | C19 | C14 | C15 | 0.3° | 0.0° |
| C18 | C19 | C14 | N6 | 180.0° | 180.0° |
| C19 | C18 | C17 | H13 | 179.4° | 179.7° |
| C17 | C16 | CL1 | C15 | 179.8° | 180.0° |
| C17 | C16 | C15 | C14 | 0.4° | 0.2° |
| C17 | C16 | C15 | H12 | 179.7° | 180.0° |
| C16 | C17 | C18 | H16 | 179.4° | 180.0° |
| C19 | C14 | C15 | C16 | 0.2° | 0.2° |
| C19 | C14 | C15 | N6 | 179.7° | 180.0° |
| C19 | C14 | N6 | C13 | 175.0° | 0.0° |
| C19 | C14 | C15 | H12 | 179.8° | 180.0° |
| C14 | C19 | C18 | H16 | 179.5° | 180.0° |
| C19 | C14 | N6 | H21 | 63.0° | 180.0° |
| CL1 | C16 | C15 | C14 | 179.9° | 179.8° |
| CL1 | C16 | C15 | H12 | 0.1° | 0.0° |
| CL1 | C16 | C17 | H13 | 0.3° | 0.0° |
| C16 | C15 | C14 | H12 | 180.0° | 179.7° |
| C16 | C15 | C14 | N6 | 179.9° | 179.8° |
| C15 | C16 | C17 | H13 | 179.5° | 180.0° |
| C15 | C14 | N6 | C13 | 4.7° | 180.0° |
| C15 | C14 | C19 | H17 | 179.7° | 179.7° |
| C15 | C14 | N6 | H21 | 117.3° | 0.0° |
| C14 | N6 | C13 | H21 | 122.0° | 180.0° |
| C14 | N6 | C13 | C12 | 81.1° | 180.0° |
| C14 | N6 | C13 | H10 | 158.6° | 60.0° |
| C14 | N6 | C13 | H11 | 39.3° | 60.0° |
| N6 | C14 | C15 | H12 | 0.1° | 0.0° |
| N6 | C14 | C19 | H17 | 0.0° | 0.2° |
| N6 | C13 | C12 | H10 | 120.3° | 120.0° |
| N6 | C13 | C12 | H11 | 120.3° | 119.9° |
| N6 | C13 | C12 | O1 | 5.6° | 0.1° |
| N6 | C13 | C12 | N5 | 175.1° | 180.0° |
| N6 | C13 | H10 | H11 | 119.0° | 119.9° |
| C13 | C12 | O1 | N5 | 179.3° | 179.9° |
| C13 | C12 | N5 | C8 | 174.3° | 180.0° |
| C12 | C13 | H10 | H11 | 119.0° | 120.0° |
| C13 | C12 | N5 | H20 | 5.6° | 0.0° |
| C12 | C13 | N6 | H21 | 41.0° | 0.0° |
| O1 | C12 | N5 | C8 | 6.3° | 0.0° |
| O1 | C12 | C13 | H10 | 114.7° | 120.0° |
| O1 | C12 | C13 | H11 | 125.9° | 120.0° |
| O1 | C12 | N5 | H20 | 173.7° | 180.0° |
| C12 | N5 | C8 | H20 | 180.0° | 180.0° |
| C12 | N5 | C8 | C7 | 75.2° | 155.0° |
| C12 | N5 | C8 | C9 | 161.0° | 85.2° |
| C12 | N5 | C8 | H7 | 43.0° | 34.9° |
| N5 | C12 | C13 | H10 | 64.6° | 60.0° |
| N5 | C12 | C13 | H11 | 54.7° | 60.0° |
| N5 | C8 | C7 | C9 | 123.7° | 120.0° |
| N5 | C8 | C7 | H7 | 118.8° | 120.1° |
| N5 | C8 | C9 | H7 | 118.5° | 120.0° |
| N5 | C8 | C7 | N4 | 177.2° | 179.2° |
| N5 | C8 | C9 | C10 | 175.7° | 177.6° |
| N5 | C8 | C7 | H5 | 62.7° | 60.9° |
| N5 | C8 | C7 | H6 | 57.1° | 59.1° |
| N5 | C8 | C9 | H18 | 55.4° | 57.7° |
| N5 | C8 | C9 | H19 | 63.9° | 62.5° |
| C5 | C6 | N3 | H4 | 180.0° | 179.9° |
| C6 | C5 | C2 | H3 | 180.0° | 180.0° |
| C5 | C6 | N3 | C3 | 0.4° | 0.0° |
| C6 | C5 | C2 | C3 | 0.1° | 0.0° |
| C6 | C5 | C2 | C1 | 178.9° | 179.9° |
| C5 | C6 | N3 | H1 | 179.6° | 179.9° |
| N3 | C6 | C5 | C2 | 0.3° | 0.0° |
| C6 | N3 | C3 | H1 | 180.0° | 179.9° |
| C6 | N3 | C3 | C2 | 0.3° | 0.0° |
| C6 | N3 | C3 | N1 | 178.7° | 180.0° |
| N3 | C6 | C5 | H3 | 179.7° | 180.0° |
| C5 | C2 | C3 | N3 | 0.1° | 0.0° |
| C5 | C2 | C3 | C1 | 179.3° | 179.9° |
| C5 | C2 | C3 | N1 | 178.9° | 180.0° |
| C5 | C2 | C1 | N4 | 3.5° | 0.1° |
| C5 | C2 | C1 | N2 | 180.0° | 180.0° |
| C2 | C5 | C6 | H4 | 179.6° | 180.0° |
| C7 | C8 | C9 | H7 | 117.4° | 120.0° |
| C8 | C7 | N4 | H5 | 120.1° | 119.9° |
| C8 | C7 | N4 | H6 | 120.1° | 120.0° |
| C7 | C8 | C9 | C10 | 51.7° | 57.7° |
| C8 | C7 | N4 | C1 | 123.5° | 174.2° |
| C8 | C7 | N4 | C11 | 59.0° | 61.8° |
| C8 | C7 | H5 | H6 | 119.7° | 120.0° |
| C7 | C8 | C9 | H18 | 68.6° | 62.3° |
| C7 | C8 | C9 | H19 | 172.0° | 177.6° |
| C7 | C8 | N5 | H20 | 104.8° | 25.0° |
| C9 | C8 | C7 | N4 | 53.5° | 59.2° |
| C8 | C9 | C10 | H18 | 120.3° | 119.9° |
| C8 | C9 | C10 | H19 | 120.3° | 119.9° |
| C8 | C9 | C10 | C11 | 53.3° | 57.7° |
| C9 | C8 | C7 | H5 | 173.6° | 179.2° |
| C9 | C8 | C7 | H6 | 66.6° | 60.8° |
| C8 | C9 | C10 | H8 | 173.5° | 62.3° |
| C8 | C9 | C10 | H9 | 66.9° | 177.6° |
| C8 | C9 | H18 | H19 | 119.0° | 120.2° |
| C9 | C8 | N5 | H20 | 19.0° | 94.8° |
| C7 | N4 | C1 | C2 | 14.7° | 180.0° |
| C7 | N4 | C1 | C11 | 177.3° | 124.2° |
| C7 | N4 | C11 | C10 | 60.8° | 61.8° |
| C7 | N4 | C1 | N2 | 161.8° | 0.0° |
| N4 | C7 | H5 | H6 | 119.8° | 120.1° |
| N4 | C7 | C8 | H7 | 64.0° | 60.8° |
| C7 | N4 | C11 | H14 | 179.1° | 58.2° |
| C7 | N4 | C11 | H15 | 59.2° | 178.2° |
| N3 | C3 | C2 | N1 | 179.0° | 180.0° |
| N3 | C3 | C2 | C1 | 179.4° | 180.0° |
| N3 | C3 | N1 | C4 | 179.9° | 180.0° |
| C3 | N3 | C6 | H4 | 179.6° | 180.0° |
| C9 | C10 | C11 | N4 | 56.5° | 59.2° |
| C9 | C10 | C11 | H8 | 120.2° | 120.0° |
| C9 | C10 | C11 | H9 | 120.2° | 120.0° |
| C10 | C9 | C8 | H7 | 65.7° | 62.3° |
| C9 | C10 | H8 | H9 | 119.4° | 120.1° |
| C9 | C10 | C11 | H14 | 176.5° | 60.8° |
| C9 | C10 | C11 | H15 | 63.6° | 179.2° |
| C10 | C9 | H18 | H19 | 119.0° | 120.1° |
| C3 | C2 | C1 | N4 | 177.5° | 180.0° |
| C3 | C2 | C1 | N2 | 0.9° | 0.0° |
| C2 | C3 | N1 | C4 | 1.1° | 0.0° |
| C2 | C3 | N3 | H1 | 179.7° | 179.9° |
| C3 | C2 | C5 | H3 | 179.9° | 180.0° |
| C1 | C2 | C3 | N1 | 0.4° | 0.0° |
| C2 | C1 | N4 | N2 | 176.6° | 179.9° |
| C2 | C1 | N4 | C11 | 167.9° | 55.9° |
| C2 | C1 | N2 | C4 | 1.5° | 0.0° |
| C1 | C2 | C5 | H3 | 1.0° | 0.1° |
| C3 | N1 | C4 | N2 | 0.5° | 0.0° |
| N1 | C3 | N3 | H1 | 1.3° | 0.1° |
| C3 | N1 | C4 | H2 | 179.5° | 180.0° |
| C1 | N4 | C11 | C10 | 121.6° | 174.2° |
| N4 | C1 | N2 | C4 | 178.3° | 179.9° |
| C1 | N4 | C7 | H5 | 3.4° | 54.2° |
| C1 | N4 | C7 | H6 | 116.5° | 65.8° |
| C1 | N4 | C11 | H14 | 1.5° | 65.8° |
| C1 | N4 | C11 | H15 | 118.4° | 54.2° |
| N4 | C11 | C10 | H14 | 120.1° | 120.0° |
| N4 | C11 | C10 | H15 | 120.1° | 120.0° |
| C11 | N4 | C1 | N2 | 15.5° | 124.2° |
| C11 | N4 | C7 | H5 | 179.1° | 178.3° |
| C11 | N4 | C7 | H6 | 61.0° | 58.2° |
| N4 | C11 | C10 | H8 | 176.6° | 60.7° |
| N4 | C11 | C10 | H9 | 63.7° | 179.2° |
| N4 | C11 | H14 | H15 | 119.8° | 120.0° |
| C11 | C10 | H8 | H9 | 119.5° | 120.1° |
| C10 | C11 | H14 | H15 | 119.8° | 120.0° |
| C11 | C10 | C9 | H18 | 67.0° | 62.3° |
| C11 | C10 | C9 | H19 | 173.7° | 177.6° |
| C1 | N2 | C4 | N1 | 0.8° | 0.0° |
| C1 | N2 | C4 | H2 | 179.2° | 180.0° |
| N1 | C4 | N2 | H2 | 180.0° | 180.0° |
| H1 | N3 | C6 | H4 | 0.4° | 0.1° |
| H3 | C5 | C6 | H4 | 0.3° | 0.0° |
| H5 | C7 | C8 | H7 | 56.1° | 59.2° |
| H6 | C7 | C8 | H7 | 175.9° | 179.2° |
| H7 | C8 | C9 | H18 | 173.9° | 177.7° |
| H7 | C8 | C9 | H19 | 54.6° | 57.6° |
| H7 | C8 | N5 | H20 | 137.0° | 145.1° |
| H8 | C10 | C11 | H14 | 63.3° | 179.2° |
| H8 | C10 | C11 | H15 | 56.6° | 59.2° |
| H8 | C10 | C9 | H18 | 53.2° | 177.7° |
| H8 | C10 | C9 | H19 | 66.1° | 57.6° |
| H9 | C10 | C11 | H14 | 56.3° | 59.2° |
| H9 | C10 | C11 | H15 | 176.2° | 60.9° |
| H9 | C10 | C9 | H18 | 172.8° | 57.7° |
| H9 | C10 | C9 | H19 | 53.5° | 62.5° |
| H10 | C13 | N6 | H21 | 79.4° | 120.0° |
| H11 | C13 | N6 | H21 | 161.3° | 120.0° |
| H13 | C17 | C18 | H16 | 0.6° | 0.1° |
| H16 | C18 | C19 | H17 | 0.5° | 0.3° |
