GE7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C13 | C14 | sing | 1.41Å | 1.39Å | Aromatic |
C11 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
C14 | N15 | doub | 1.34Å | 1.35Å | Aromatic |
C14 | C9 | sing | 1.42Å | 1.40Å | Aromatic |
C10 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
N15 | C16 | sing | 1.31Å | 1.35Å | Aromatic |
C9 | C8 | doub | 1.42Å | 1.40Å | Aromatic |
C16 | C27 | sing | 1.51Å | 1.51Å | |
C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
C8 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
C8 | C5 | sing | 1.48Å | 1.51Å | |
C17 | C18 | sing | 1.51Å | 1.51Å | |
C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
C25 | C23 | sing | 1.53Å | 1.53Å | |
O21 | C19 | doub | 1.21Å | 1.32Å | |
C18 | C19 | sing | 1.51Å | 1.50Å | |
C18 | O22 | sing | 1.43Å | 1.42Å | |
C7 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.51Å | 1.51Å | |
C19 | O20 | sing | 1.34Å | 1.21Å | |
O22 | C23 | sing | 1.43Å | 1.42Å | |
C23 | C26 | sing | 1.53Å | 1.53Å | |
C23 | C24 | sing | 1.53Å | 1.53Å | |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C18 | H2 | sing | 1.09Å | 1.10Å | |
C24 | H3 | sing | 1.09Å | 1.10Å | |
C24 | H4 | sing | 1.09Å | 1.10Å | |
C24 | H5 | sing | 1.09Å | 1.10Å | |
C11 | H6 | sing | 1.08Å | 1.08Å | |
C12 | H7 | sing | 1.08Å | 1.08Å | |
C27 | H8 | sing | 1.09Å | 1.10Å | |
C27 | H9 | sing | 1.09Å | 1.10Å | |
C27 | H10 | sing | 1.09Å | 1.10Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C3 | H14 | sing | 1.08Å | 1.08Å | |
C4 | H15 | sing | 1.08Å | 1.08Å | |
C6 | H16 | sing | 1.08Å | 1.08Å | |
C7 | H17 | sing | 1.08Å | 1.08Å | |
C10 | H18 | sing | 1.08Å | 1.08Å | |
O20 | H19 | sing | 0.97Å | 0.95Å | |
C25 | H20 | sing | 1.09Å | 1.10Å | |
C25 | H21 | sing | 1.09Å | 1.10Å | |
C25 | H22 | sing | 1.09Å | 1.10Å | |
C26 | H23 | sing | 1.09Å | 1.10Å | |
C26 | H24 | sing | 1.09Å | 1.10Å | |
C26 | H25 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C13 | C12 | C11 | 119.8° | 121.0° |
C12 | C13 | C14 | 120.0° | 119.8° |
C12 | C13 | H1 | 120.0° | 120.2° |
C13 | C12 | H7 | 120.1° | 119.5° |
C12 | C11 | C10 | 119.6° | 120.9° |
C12 | C11 | H6 | 120.2° | 119.6° |
C11 | C12 | H7 | 120.2° | 119.5° |
C13 | C14 | N15 | 119.1° | 121.0° |
C13 | C14 | C9 | 121.4° | 119.0° |
C14 | C13 | H1 | 120.0° | 120.1° |
C11 | C10 | C9 | 121.7° | 119.6° |
C10 | C11 | H6 | 120.2° | 119.5° |
C11 | C10 | H18 | 119.1° | 120.2° |
N15 | C14 | C9 | 119.4° | 120.0° |
C14 | N15 | C16 | 121.5° | 121.8° |
C14 | C9 | C10 | 117.5° | 119.7° |
C14 | C9 | C8 | 120.2° | 118.9° |
C10 | C9 | C8 | 122.3° | 121.3° |
C9 | C10 | H18 | 119.2° | 120.2° |
N15 | C16 | C27 | 117.8° | 119.1° |
N15 | C16 | C17 | 121.7° | 121.9° |
C9 | C8 | C17 | 118.7° | 117.8° |
C9 | C8 | C5 | 119.3° | 121.1° |
C27 | C16 | C17 | 120.5° | 119.0° |
C16 | C27 | H8 | 109.5° | 109.5° |
C16 | C27 | H9 | 109.4° | 109.4° |
C16 | C27 | H10 | 109.5° | 109.5° |
C16 | C17 | C8 | 118.4° | 119.6° |
C16 | C17 | C18 | 120.1° | 120.2° |
C17 | C8 | C5 | 121.9° | 121.1° |
C8 | C17 | C18 | 121.5° | 120.2° |
C8 | C5 | C4 | 122.3° | 120.1° |
C8 | C5 | C6 | 119.6° | 120.1° |
C17 | C18 | C19 | 112.8° | 109.5° |
C17 | C18 | O22 | 122.8° | 109.5° |
C17 | C18 | H2 | 99.2° | 109.4° |
C4 | C5 | C6 | 118.1° | 119.8° |
C5 | C4 | C3 | 121.9° | 119.8° |
C5 | C4 | H15 | 119.1° | 120.1° |
C5 | C6 | C7 | 120.3° | 119.9° |
C5 | C6 | H16 | 119.8° | 120.1° |
C4 | C3 | C2 | 119.5° | 120.2° |
C4 | C3 | H14 | 120.2° | 119.9° |
C3 | C4 | H15 | 119.0° | 120.1° |
C6 | C7 | C2 | 121.0° | 120.1° |
C7 | C6 | H16 | 119.8° | 120.1° |
C6 | C7 | H17 | 119.5° | 120.0° |
C3 | C2 | C7 | 119.0° | 120.3° |
C3 | C2 | C1 | 119.9° | 119.9° |
C2 | C3 | H14 | 120.2° | 119.9° |
C25 | C23 | O22 | 115.3° | 109.4° |
C25 | C23 | C26 | 110.5° | 109.5° |
C25 | C23 | C24 | 106.9° | 109.5° |
C23 | C25 | H20 | 109.5° | 109.5° |
C23 | C25 | H21 | 109.5° | 109.4° |
C23 | C25 | H22 | 109.5° | 109.4° |
O21 | C19 | C18 | 120.3° | 120.0° |
O21 | C19 | O20 | 118.3° | 120.0° |
C19 | C18 | O22 | 116.5° | 109.5° |
C18 | C19 | O20 | 121.4° | 120.0° |
C19 | C18 | H2 | 99.3° | 109.5° |
C18 | O22 | C23 | 122.9° | 114.0° |
O22 | C18 | H2 | 99.8° | 109.5° |
C7 | C2 | C1 | 121.1° | 119.8° |
C2 | C7 | H17 | 119.5° | 119.9° |
C2 | C1 | H11 | 109.5° | 109.5° |
C2 | C1 | H12 | 109.4° | 109.5° |
C2 | C1 | H13 | 109.4° | 109.5° |
C19 | O20 | H19 | 109.5° | 117.0° |
O22 | C23 | C26 | 117.0° | 109.5° |
O22 | C23 | C24 | 100.7° | 109.5° |
C26 | C23 | C24 | 104.8° | 109.5° |
C23 | C26 | H23 | 109.5° | 109.4° |
C23 | C26 | H24 | 109.5° | 109.4° |
C23 | C26 | H25 | 109.5° | 109.4° |
C23 | C24 | H3 | 109.5° | 109.5° |
C23 | C24 | H4 | 109.5° | 109.5° |
C23 | C24 | H5 | 109.5° | 109.5° |
H3 | C24 | H4 | 109.5° | 109.4° |
H3 | C24 | H5 | 109.4° | 109.5° |
H4 | C24 | H5 | 109.5° | 109.4° |
H8 | C27 | H9 | 109.5° | 109.5° |
H8 | C27 | H10 | 109.5° | 109.5° |
H9 | C27 | H10 | 109.5° | 109.4° |
H11 | C1 | H12 | 109.4° | 109.5° |
H11 | C1 | H13 | 109.5° | 109.5° |
H12 | C1 | H13 | 109.5° | 109.4° |
H20 | C25 | H21 | 109.5° | 109.5° |
H20 | C25 | H22 | 109.5° | 109.5° |
H21 | C25 | H22 | 109.5° | 109.5° |
H23 | C26 | H24 | 109.5° | 109.5° |
H23 | C26 | H25 | 109.4° | 109.5° |
H24 | C26 | H25 | 109.4° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C13 | C12 | C11 | H7 | 180.0° | 180.0° |
C12 | C13 | C14 | H1 | 180.0° | 179.7° |
C13 | C12 | C11 | C10 | 2.9° | 0.0° |
C12 | C13 | C14 | N15 | 176.8° | 179.8° |
C12 | C13 | C14 | C9 | 1.1° | 0.2° |
C13 | C12 | C11 | H6 | 177.1° | 179.7° |
C11 | C12 | C13 | C14 | 1.3° | 0.0° |
C12 | C11 | C10 | H6 | 180.0° | 179.8° |
C12 | C11 | C10 | C9 | 2.2° | 0.2° |
C11 | C12 | C13 | H1 | 178.7° | 179.7° |
C12 | C11 | C10 | H18 | 177.9° | 179.8° |
C13 | C14 | N15 | C9 | 175.8° | 180.0° |
C13 | C14 | C9 | C10 | 1.8° | 0.5° |
C13 | C14 | N15 | C16 | 178.1° | 180.0° |
C13 | C14 | C9 | C8 | 178.6° | 180.0° |
C14 | C13 | C12 | H7 | 178.7° | 180.0° |
C11 | C10 | C9 | C14 | 0.2° | 0.4° |
C11 | C10 | C9 | H18 | 180.0° | 180.0° |
C11 | C10 | C9 | C8 | 179.8° | 180.0° |
C10 | C11 | C12 | H7 | 177.1° | 180.0° |
N15 | C14 | C9 | C10 | 177.5° | 179.5° |
N15 | C14 | C9 | C8 | 2.9° | 0.1° |
C14 | N15 | C16 | C27 | 179.5° | 180.0° |
C14 | N15 | C16 | C17 | 1.5° | 0.0° |
N15 | C14 | C13 | H1 | 3.2° | 0.1° |
C14 | C9 | C10 | C8 | 179.6° | 179.6° |
C9 | C14 | N15 | C16 | 2.3° | 0.0° |
C14 | C9 | C8 | C17 | 2.7° | 0.1° |
C14 | C9 | C8 | C5 | 179.8° | 180.0° |
C9 | C14 | C13 | H1 | 178.9° | 179.9° |
C14 | C9 | C10 | H18 | 179.8° | 179.6° |
C10 | C9 | C8 | C17 | 177.7° | 179.5° |
C10 | C9 | C8 | C5 | 0.2° | 0.4° |
C9 | C10 | C11 | H6 | 177.8° | 180.0° |
N15 | C16 | C27 | C17 | 178.0° | 180.0° |
N15 | C16 | C17 | C8 | 1.3° | 0.0° |
N15 | C16 | C17 | C18 | 179.0° | 180.0° |
N15 | C16 | C27 | H8 | 0.0° | 96.5° |
N15 | C16 | C27 | H9 | 120.0° | 23.5° |
N15 | C16 | C27 | H10 | 120.0° | 143.5° |
C9 | C8 | C17 | C16 | 1.9° | 0.1° |
C9 | C8 | C17 | C5 | 177.4° | 179.9° |
C9 | C8 | C17 | C18 | 178.4° | 179.9° |
C9 | C8 | C5 | C4 | 71.6° | 65.0° |
C9 | C8 | C5 | C6 | 108.4° | 114.9° |
C8 | C9 | C10 | H18 | 0.2° | 0.0° |
C27 | C16 | C17 | C8 | 179.2° | 180.0° |
C27 | C16 | C17 | C18 | 1.1° | 0.0° |
C16 | C27 | H8 | H9 | 120.0° | 120.0° |
C16 | C27 | H8 | H10 | 120.0° | 120.1° |
C16 | C27 | H9 | H10 | 120.0° | 120.0° |
C16 | C17 | C8 | C18 | 179.7° | 180.0° |
C16 | C17 | C8 | C5 | 179.4° | 180.0° |
C16 | C17 | C18 | C19 | 78.9° | 71.0° |
C16 | C17 | C18 | O22 | 69.0° | 49.0° |
C16 | C17 | C18 | H2 | 176.9° | 169.0° |
C17 | C16 | C27 | H8 | 178.0° | 83.5° |
C17 | C16 | C27 | H9 | 62.0° | 156.5° |
C17 | C16 | C27 | H10 | 58.0° | 36.5° |
C17 | C8 | C5 | C4 | 111.0° | 115.0° |
C17 | C8 | C5 | C6 | 69.0° | 65.0° |
C8 | C17 | C18 | C19 | 101.4° | 109.0° |
C8 | C17 | C18 | O22 | 110.7° | 131.0° |
C8 | C17 | C18 | H2 | 2.7° | 11.0° |
C5 | C8 | C17 | C18 | 1.0° | 0.0° |
C8 | C5 | C4 | C6 | 180.0° | 180.0° |
C8 | C5 | C4 | C3 | 178.4° | 179.9° |
C8 | C5 | C6 | C7 | 179.8° | 179.8° |
C8 | C5 | C4 | H15 | 1.6° | 0.0° |
C8 | C5 | C6 | H16 | 0.2° | 0.0° |
C17 | C18 | C19 | O21 | 22.2° | 120.0° |
C17 | C18 | C19 | O22 | 150.0° | 120.0° |
C17 | C18 | C19 | H2 | 104.1° | 120.0° |
C17 | C18 | O22 | H2 | 107.6° | 119.9° |
C17 | C18 | C19 | O20 | 156.7° | 60.0° |
C17 | C18 | O22 | C23 | 63.4° | 150.0° |
C5 | C4 | C3 | H15 | 180.0° | 179.9° |
C4 | C5 | C6 | C7 | 0.2° | 0.2° |
C5 | C4 | C3 | C2 | 0.8° | 0.1° |
C5 | C4 | C3 | H14 | 179.2° | 180.0° |
C4 | C5 | C6 | H16 | 179.8° | 180.0° |
C6 | C5 | C4 | C3 | 1.6° | 0.0° |
C5 | C6 | C7 | H16 | 180.0° | 179.8° |
C5 | C6 | C7 | C2 | 2.8° | 0.5° |
C6 | C5 | C4 | H15 | 178.4° | 179.9° |
C5 | C6 | C7 | H17 | 177.2° | 179.9° |
C4 | C3 | C2 | H14 | 180.0° | 179.9° |
C4 | C3 | C2 | C7 | 1.7° | 0.2° |
C4 | C3 | C2 | C1 | 179.6° | 180.0° |
C6 | C7 | C2 | C3 | 3.6° | 0.4° |
C6 | C7 | C2 | H17 | 180.0° | 179.6° |
C6 | C7 | C2 | C1 | 177.8° | 179.8° |
C3 | C2 | C7 | C1 | 178.7° | 179.8° |
C3 | C2 | C1 | H11 | 90.7° | 90.0° |
C3 | C2 | C1 | H12 | 149.4° | 150.0° |
C3 | C2 | C1 | H13 | 29.3° | 30.1° |
C2 | C3 | C4 | H15 | 179.1° | 180.0° |
C3 | C2 | C7 | H17 | 176.4° | 180.0° |
C25 | C23 | O22 | C18 | 65.7° | 180.0° |
C25 | C23 | O22 | C26 | 132.5° | 120.0° |
C25 | C23 | O22 | C24 | 114.7° | 120.0° |
C25 | C23 | C26 | C24 | 114.9° | 120.0° |
C25 | C23 | C24 | H3 | 180.0° | 60.0° |
C25 | C23 | C24 | H4 | 60.0° | 60.0° |
C25 | C23 | C24 | H5 | 60.0° | 180.0° |
C23 | C25 | H20 | H21 | 120.0° | 120.0° |
C23 | C25 | H20 | H22 | 120.0° | 120.0° |
C23 | C25 | H21 | H22 | 120.0° | 120.0° |
C25 | C23 | C26 | H23 | 180.0° | 180.0° |
C25 | C23 | C26 | H24 | 60.0° | 60.0° |
C25 | C23 | C26 | H25 | 60.0° | 60.1° |
O21 | C19 | C18 | O20 | 178.9° | 179.9° |
O21 | C19 | C18 | O22 | 172.2° | 0.0° |
O21 | C19 | C18 | H2 | 81.9° | 120.0° |
O21 | C19 | O20 | H19 | 0.0° | 0.2° |
C19 | C18 | O22 | H2 | 105.6° | 120.0° |
C19 | C18 | O22 | C23 | 149.8° | 90.0° |
C18 | C19 | O20 | H19 | 178.9° | 179.9° |
O22 | C18 | C19 | O20 | 6.7° | 180.0° |
C18 | O22 | C23 | C26 | 66.8° | 60.0° |
C18 | O22 | C23 | C24 | 179.6° | 60.1° |
C7 | C2 | C1 | H11 | 90.6° | 90.2° |
C7 | C2 | C1 | H12 | 29.3° | 29.8° |
C7 | C2 | C1 | H13 | 149.3° | 149.7° |
C7 | C2 | C3 | H14 | 178.2° | 179.7° |
C2 | C7 | C6 | H16 | 177.2° | 179.8° |
C2 | C1 | H11 | H12 | 119.9° | 120.0° |
C2 | C1 | H11 | H13 | 120.0° | 120.0° |
C2 | C1 | H12 | H13 | 120.0° | 120.0° |
C1 | C2 | C3 | H14 | 0.5° | 0.0° |
C1 | C2 | C7 | H17 | 2.2° | 0.2° |
O20 | C19 | C18 | H2 | 99.2° | 59.9° |
O22 | C23 | C26 | C24 | 110.5° | 120.0° |
C23 | O22 | C18 | H2 | 44.2° | 30.1° |
O22 | C23 | C24 | H3 | 59.2° | 179.9° |
O22 | C23 | C24 | H4 | 60.8° | 59.9° |
O22 | C23 | C24 | H5 | 179.2° | 60.0° |
O22 | C23 | C25 | H20 | 180.0° | 60.0° |
O22 | C23 | C25 | H21 | 60.0° | 60.0° |
O22 | C23 | C25 | H22 | 60.0° | 180.0° |
O22 | C23 | C26 | H23 | 45.4° | 60.0° |
O22 | C23 | C26 | H24 | 165.4° | 59.9° |
O22 | C23 | C26 | H25 | 74.6° | 180.0° |
C26 | C23 | C24 | H3 | 62.7° | 60.0° |
C26 | C23 | C24 | H4 | 177.3° | 180.0° |
C26 | C23 | C24 | H5 | 57.3° | 60.1° |
C26 | C23 | C25 | H20 | 44.5° | 60.0° |
C26 | C23 | C25 | H21 | 164.5° | 180.0° |
C26 | C23 | C25 | H22 | 75.5° | 60.0° |
C23 | C26 | H23 | H24 | 120.0° | 119.9° |
C23 | C26 | H23 | H25 | 120.0° | 119.9° |
C23 | C26 | H24 | H25 | 120.0° | 120.0° |
C23 | C24 | H3 | H4 | 120.0° | 120.0° |
C23 | C24 | H3 | H5 | 120.0° | 120.1° |
C23 | C24 | H4 | H5 | 120.0° | 120.0° |
C24 | C23 | C25 | H20 | 69.0° | 180.0° |
C24 | C23 | C25 | H21 | 51.1° | 60.0° |
C24 | C23 | C25 | H22 | 171.0° | 60.0° |
C24 | C23 | C26 | H23 | 65.2° | 60.0° |
C24 | C23 | C26 | H24 | 54.9° | 180.0° |
C24 | C23 | C26 | H25 | 174.9° | 59.9° |
H1 | C13 | C12 | H7 | 1.3° | 0.3° |
H3 | C24 | H4 | H5 | 120.0° | 119.9° |
H6 | C11 | C12 | H7 | 2.9° | 0.3° |
H6 | C11 | C10 | H18 | 2.1° | 0.0° |
H8 | C27 | H9 | H10 | 120.0° | 120.0° |
H11 | C1 | H12 | H13 | 120.0° | 120.0° |
H14 | C3 | C4 | H15 | 0.8° | 0.1° |
H16 | C6 | C7 | H17 | 2.8° | 0.2° |
H20 | C25 | H21 | H22 | 120.0° | 120.0° |
H23 | C26 | H24 | H25 | 119.9° | 120.1° |