O7Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C04 | O05 | sing | 1.43Å | 1.41Å | |
C04 | C02 | sing | 1.51Å | 1.54Å | |
O01 | C02 | doub | 1.21Å | 1.25Å | |
C02 | O03 | sing | 1.34Å | 1.26Å | |
C04 | H1 | sing | 1.09Å | 1.10Å | |
C04 | H2 | sing | 1.09Å | 1.10Å | |
O03 | H3 | sing | 0.97Å | 0.95Å | |
O05 | C1 | sing | 1.36Å | 31.48Å | |
C1 | C2 | sing | 1.39Å | 0.00Å | Aromatic |
C2 | C3 | doub | 1.37Å | 0.00Å | Aromatic |
C3 | C4 | sing | 1.40Å | 0.00Å | Aromatic |
C4 | C5 | doub | 1.41Å | 0.00Å | Aromatic |
C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
C6 | C1 | doub | 1.39Å | 0.00Å | Aromatic |
C4 | C7 | sing | 1.47Å | 0.00Å | |
C7 | C8 | sing | 1.51Å | 0.00Å | |
C8 | C9 | sing | 1.53Å | 0.00Å | |
C9 | C3 | sing | 1.51Å | 0.00Å | |
C8 | C10 | sing | 1.53Å | 0.00Å | |
C10 | C11 | sing | 1.55Å | 0.00Å | |
C11 | C12 | sing | 1.54Å | 0.00Å | |
C12 | C13 | sing | 1.54Å | 0.00Å | |
C13 | C14 | sing | 1.54Å | 0.00Å | |
C14 | C10 | sing | 1.55Å | 0.00Å | |
C8 | C15 | sing | 1.53Å | 0.00Å | |
C7 | O1 | doub | 1.21Å | 0.00Å | |
C5 | CL2 | sing | 1.74Å | 0.00Å | |
C6 | CL1 | sing | 1.74Å | 0.00Å | |
C2 | H4 | sing | 1.08Å | 0.00Å | |
C9 | H5 | sing | 1.09Å | 0.00Å | |
C9 | H6 | sing | 1.09Å | 0.00Å | |
C10 | H7 | sing | 1.09Å | 0.00Å | |
C11 | H8 | sing | 1.09Å | 0.00Å | |
C11 | H9 | sing | 1.09Å | 0.00Å | |
C12 | H10 | sing | 1.09Å | 0.00Å | |
C12 | H11 | sing | 1.09Å | 0.00Å | |
C13 | H12 | sing | 1.09Å | 0.00Å | |
C13 | H13 | sing | 1.09Å | 0.00Å | |
C14 | H14 | sing | 1.09Å | 0.00Å | |
C14 | H15 | sing | 1.09Å | 0.00Å | |
C15 | H16 | sing | 1.09Å | 0.00Å | |
C15 | H17 | sing | 1.09Å | 0.00Å | |
C15 | H18 | sing | 1.09Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O05 | C04 | C02 | 111.6° | 109.4° |
O05 | C04 | H1 | 109.0° | 109.5° |
O05 | C04 | H2 | 109.0° | 109.4° |
C04 | O05 | C1 | 62.0° | 117.0° |
C04 | C02 | O01 | 120.8° | 120.0° |
C04 | C02 | O03 | 120.6° | 120.0° |
C02 | C04 | H1 | 108.9° | 109.5° |
C02 | C04 | H2 | 108.9° | 109.5° |
O01 | C02 | O03 | 118.5° | 120.0° |
C02 | O03 | H3 | 109.5° | 117.0° |
H1 | C04 | H2 | 109.4° | 109.5° |
O05 | C1 | C2 | 90.0° | 119.9° |
O05 | C1 | C6 | 90.0° | 120.0° |
C1 | C2 | C3 | 90.0° | 120.5° |
C2 | C1 | C6 | 90.0° | 120.1° |
C1 | C2 | H4 | 90.0° | 119.8° |
C2 | C3 | C4 | 90.0° | 120.1° |
C2 | C3 | C9 | 90.0° | 130.4° |
C3 | C2 | H4 | 90.0° | 119.8° |
C3 | C4 | C5 | 90.0° | 119.4° |
C3 | C4 | C7 | 90.0° | 110.7° |
C4 | C3 | C9 | 90.0° | 109.5° |
C4 | C5 | C6 | 90.0° | 120.0° |
C5 | C4 | C7 | 90.0° | 129.9° |
C4 | C5 | CL2 | 90.0° | 120.0° |
C5 | C6 | C1 | 90.0° | 119.9° |
C6 | C5 | CL2 | 90.0° | 120.0° |
C5 | C6 | CL1 | 90.0° | 120.0° |
C1 | C6 | CL1 | 90.0° | 120.0° |
C4 | C7 | C8 | 90.0° | 108.2° |
C4 | C7 | O1 | 90.0° | 125.9° |
C7 | C8 | C9 | 90.0° | 105.4° |
C7 | C8 | C10 | 90.0° | 110.3° |
C7 | C8 | C15 | 90.0° | 110.3° |
C8 | C7 | O1 | 90.0° | 125.9° |
C8 | C9 | C3 | 90.0° | 106.2° |
C9 | C8 | C10 | 90.0° | 110.2° |
C9 | C8 | C15 | 90.0° | 110.3° |
C8 | C9 | H5 | 90.0° | 110.1° |
C8 | C9 | H6 | 90.0° | 110.2° |
C3 | C9 | H5 | 90.0° | 110.0° |
C3 | C9 | H6 | 90.0° | 110.1° |
C8 | C10 | C11 | 90.0° | 110.8° |
C8 | C10 | C14 | 90.0° | 110.8° |
C10 | C8 | C15 | 90.0° | 110.3° |
C8 | C10 | H7 | 90.0° | 110.6° |
C10 | C11 | C12 | 90.0° | 104.2° |
C11 | C10 | C14 | 90.0° | 102.8° |
C11 | C10 | H7 | 90.0° | 110.8° |
C10 | C11 | H8 | 90.0° | 110.5° |
C10 | C11 | H9 | 90.0° | 110.5° |
C11 | C12 | C13 | 90.0° | 106.6° |
C12 | C11 | H8 | 90.0° | 110.5° |
C12 | C11 | H9 | 90.0° | 110.5° |
C11 | C12 | H10 | 90.0° | 110.0° |
C11 | C12 | H11 | 90.0° | 110.0° |
C12 | C13 | C14 | 90.0° | 106.6° |
C13 | C12 | H10 | 90.0° | 110.0° |
C13 | C12 | H11 | 90.0° | 110.1° |
C12 | C13 | H12 | 90.0° | 110.0° |
C12 | C13 | H13 | 90.0° | 110.0° |
C13 | C14 | C10 | 90.0° | 104.2° |
C14 | C13 | H12 | 90.0° | 110.0° |
C14 | C13 | H13 | 90.0° | 110.0° |
C13 | C14 | H14 | 90.0° | 110.4° |
C13 | C14 | H15 | 90.0° | 110.4° |
C14 | C10 | H7 | 90.0° | 110.9° |
C10 | C14 | H14 | 90.0° | 110.5° |
C10 | C14 | H15 | 90.0° | 110.5° |
C8 | C15 | H16 | 90.0° | 109.5° |
C8 | C15 | H17 | 90.0° | 109.4° |
C8 | C15 | H18 | 90.0° | 109.5° |
H5 | C9 | H6 | 90.0° | 110.1° |
H8 | C11 | H9 | 90.0° | 110.5° |
H10 | C12 | H11 | 90.0° | 110.1° |
H12 | C13 | H13 | 90.0° | 110.1° |
H14 | C14 | H15 | 90.0° | 110.6° |
H16 | C15 | H17 | 90.0° | 109.5° |
H16 | C15 | H18 | 90.0° | 109.5° |
H17 | C15 | H18 | 90.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O05 | C04 | C02 | H1 | 120.3° | 120.0° |
O05 | C04 | C02 | H2 | 120.4° | 120.0° |
O05 | C04 | C02 | O01 | 66.5° | 0.2° |
O05 | C04 | C02 | O03 | 114.5° | 180.0° |
O05 | C04 | H1 | H2 | 119.0° | 120.0° |
C04 | O05 | C1 | C2 | 90.0° | 0.0° |
C04 | O05 | C1 | C6 | 90.0° | 179.7° |
C04 | C02 | O01 | O03 | 179.1° | 179.8° |
C02 | C04 | H1 | H2 | 119.0° | 120.1° |
C04 | C02 | O03 | H3 | 179.1° | 179.9° |
C02 | C04 | O05 | C1 | 94.9° | 180.0° |
O01 | C02 | C04 | H1 | 173.2° | 120.2° |
O01 | C02 | C04 | H2 | 53.9° | 119.7° |
O01 | C02 | O03 | H3 | 0.0° | 0.3° |
O03 | C02 | C04 | H1 | 5.9° | 60.0° |
O03 | C02 | C04 | H2 | 125.2° | 60.0° |
H1 | C04 | O05 | C1 | 144.8° | 60.0° |
H2 | C04 | O05 | C1 | 25.4° | 60.0° |
O05 | C1 | C2 | C6 | 90.0° | 179.7° |
O05 | C1 | C2 | C3 | 90.0° | 180.0° |
O05 | C1 | C6 | C5 | 90.0° | 179.7° |
O05 | C1 | C6 | CL1 | 90.0° | 0.3° |
O05 | C1 | C2 | H4 | 90.0° | 0.0° |
C1 | C2 | C3 | H4 | 90.0° | 179.9° |
C1 | C2 | C3 | C4 | 90.0° | 0.1° |
C2 | C1 | C6 | C5 | 90.0° | 0.5° |
C1 | C2 | C3 | C9 | 90.0° | 180.0° |
C2 | C1 | C6 | CL1 | 90.0° | 180.0° |
C2 | C3 | C4 | C9 | 90.0° | 179.9° |
C2 | C3 | C4 | C5 | 90.0° | 0.1° |
C3 | C2 | C1 | C6 | 90.0° | 0.3° |
C2 | C3 | C4 | C7 | 90.0° | 180.0° |
C2 | C3 | C9 | C8 | 90.0° | 180.0° |
C2 | C3 | C9 | H5 | 90.0° | 60.9° |
C2 | C3 | C9 | H6 | 90.0° | 60.7° |
C3 | C4 | C5 | C7 | 90.0° | 179.9° |
C3 | C4 | C5 | C6 | 90.0° | 0.3° |
C3 | C4 | C7 | C8 | 90.0° | 0.0° |
C4 | C3 | C9 | C8 | 90.0° | 0.1° |
C3 | C4 | C7 | O1 | 90.0° | 180.0° |
C3 | C4 | C5 | CL2 | 90.0° | 179.9° |
C4 | C3 | C2 | H4 | 90.0° | 180.0° |
C4 | C3 | C9 | H5 | 90.0° | 119.2° |
C4 | C3 | C9 | H6 | 90.0° | 119.2° |
C4 | C5 | C6 | CL2 | 90.0° | 179.8° |
C4 | C5 | C6 | C1 | 90.0° | 0.5° |
C5 | C4 | C7 | C8 | 90.0° | 180.0° |
C5 | C4 | C3 | C9 | 90.0° | 180.0° |
C5 | C4 | C7 | O1 | 90.0° | 0.0° |
C4 | C5 | C6 | CL1 | 90.0° | 180.0° |
C5 | C6 | C1 | CL1 | 90.0° | 179.5° |
C6 | C5 | C4 | C7 | 90.0° | 179.8° |
C1 | C6 | C5 | CL2 | 90.0° | 179.7° |
C6 | C1 | C2 | H4 | 90.0° | 179.8° |
C4 | C7 | C8 | O1 | 90.0° | 180.0° |
C4 | C7 | C8 | C9 | 90.0° | 0.0° |
C7 | C4 | C3 | C9 | 90.0° | 0.1° |
C4 | C7 | C8 | C10 | 90.0° | 118.9° |
C4 | C7 | C8 | C15 | 90.0° | 119.0° |
C7 | C4 | C5 | CL2 | 90.0° | 0.0° |
C7 | C8 | C9 | C10 | 90.0° | 118.9° |
C7 | C8 | C9 | C15 | 90.0° | 119.0° |
C7 | C8 | C9 | C3 | 90.0° | 0.1° |
C7 | C8 | C10 | C15 | 90.0° | 122.1° |
C7 | C8 | C10 | C11 | 90.0° | 174.3° |
C7 | C8 | C10 | C14 | 90.0° | 61.0° |
C7 | C8 | C9 | H5 | 90.0° | 119.2° |
C7 | C8 | C9 | H6 | 90.0° | 119.2° |
C7 | C8 | C10 | H7 | 90.0° | 62.4° |
C7 | C8 | C15 | H16 | 90.0° | 54.5° |
C7 | C8 | C15 | H17 | 90.0° | 174.4° |
C7 | C8 | C15 | H18 | 90.0° | 65.6° |
C8 | C9 | C3 | H5 | 90.0° | 119.1° |
C8 | C9 | C3 | H6 | 90.0° | 119.3° |
C9 | C8 | C10 | C15 | 90.0° | 122.0° |
C9 | C8 | C10 | C11 | 90.0° | 58.4° |
C9 | C8 | C10 | C14 | 90.0° | 54.9° |
C9 | C8 | C7 | O1 | 90.0° | 180.0° |
C8 | C9 | H5 | H6 | 90.0° | 121.7° |
C9 | C8 | C10 | H7 | 90.0° | 178.3° |
C9 | C8 | C15 | H16 | 90.0° | 61.5° |
C9 | C8 | C15 | H17 | 90.0° | 58.5° |
C9 | C8 | C15 | H18 | 90.0° | 178.5° |
C3 | C9 | C8 | C10 | 90.0° | 119.0° |
C3 | C9 | C8 | C15 | 90.0° | 118.9° |
C9 | C3 | C2 | H4 | 90.0° | 0.1° |
C3 | C9 | H5 | H6 | 90.0° | 121.6° |
C8 | C10 | C11 | C14 | 90.0° | 118.3° |
C8 | C10 | C11 | H7 | 90.0° | 123.2° |
C8 | C10 | C11 | C12 | 90.0° | 156.3° |
C8 | C10 | C14 | C13 | 90.0° | 156.3° |
C8 | C10 | C14 | H7 | 90.0° | 123.2° |
C10 | C8 | C7 | O1 | 90.0° | 61.1° |
C10 | C8 | C9 | H5 | 90.0° | 121.9° |
C10 | C8 | C9 | H6 | 90.0° | 0.3° |
C8 | C10 | C11 | H8 | 90.0° | 85.0° |
C8 | C10 | C11 | H9 | 90.0° | 37.6° |
C8 | C10 | C14 | H14 | 90.0° | 37.6° |
C8 | C10 | C14 | H15 | 90.0° | 85.1° |
C10 | C8 | C15 | H16 | 90.0° | 176.5° |
C10 | C8 | C15 | H17 | 90.0° | 63.5° |
C10 | C8 | C15 | H18 | 90.0° | 56.5° |
C10 | C11 | C12 | H8 | 90.0° | 118.7° |
C10 | C11 | C12 | H9 | 90.0° | 118.7° |
C10 | C11 | C12 | C13 | 90.0° | 23.6° |
C11 | C10 | C14 | C13 | 90.0° | 37.9° |
C11 | C10 | C14 | H7 | 90.0° | 118.4° |
C11 | C10 | C8 | C15 | 90.0° | 63.6° |
C10 | C11 | H8 | H9 | 90.0° | 122.6° |
C10 | C11 | C12 | H10 | 90.0° | 95.6° |
C10 | C11 | C12 | H11 | 90.0° | 142.9° |
C11 | C10 | C14 | H14 | 90.0° | 80.7° |
C11 | C10 | C14 | H15 | 90.0° | 156.6° |
C11 | C12 | C13 | H10 | 90.0° | 119.2° |
C11 | C12 | C13 | H11 | 90.0° | 119.3° |
C11 | C12 | C13 | C14 | 90.0° | 0.0° |
C12 | C11 | C10 | C14 | 90.0° | 37.9° |
C12 | C11 | C10 | H7 | 90.0° | 80.6° |
C12 | C11 | H8 | H9 | 90.0° | 122.6° |
C11 | C12 | H10 | H11 | 90.0° | 121.4° |
C11 | C12 | C13 | H12 | 90.0° | 119.2° |
C11 | C12 | C13 | H13 | 90.0° | 119.3° |
C12 | C13 | C14 | H12 | 90.0° | 119.2° |
C12 | C13 | C14 | H13 | 90.0° | 119.3° |
C12 | C13 | C14 | C10 | 90.0° | 23.6° |
C13 | C12 | C11 | H8 | 90.0° | 142.3° |
C13 | C12 | C11 | H9 | 90.0° | 95.1° |
C13 | C12 | H10 | H11 | 90.0° | 121.5° |
C12 | C13 | H12 | H13 | 90.0° | 121.4° |
C12 | C13 | C14 | H14 | 90.0° | 95.1° |
C12 | C13 | C14 | H15 | 90.0° | 142.3° |
C13 | C14 | C10 | H14 | 90.0° | 118.7° |
C13 | C14 | C10 | H15 | 90.0° | 118.6° |
C13 | C14 | C10 | H7 | 90.0° | 80.5° |
C14 | C13 | C12 | H10 | 90.0° | 119.2° |
C14 | C13 | C12 | H11 | 90.0° | 119.3° |
C14 | C13 | H12 | H13 | 90.0° | 121.4° |
C13 | C14 | H14 | H15 | 90.0° | 122.5° |
C14 | C10 | C8 | C15 | 90.0° | 177.0° |
C14 | C10 | C11 | H8 | 90.0° | 156.6° |
C14 | C10 | C11 | H9 | 90.0° | 80.7° |
C10 | C14 | C13 | H12 | 90.0° | 95.6° |
C10 | C14 | C13 | H13 | 90.0° | 142.9° |
C10 | C14 | H14 | H15 | 90.0° | 122.7° |
C15 | C8 | C7 | O1 | 90.0° | 61.0° |
C15 | C8 | C9 | H5 | 90.0° | 0.1° |
C15 | C8 | C9 | H6 | 90.0° | 121.8° |
C15 | C8 | C10 | H7 | 90.0° | 59.6° |
C8 | C15 | H16 | H17 | 90.0° | 120.0° |
C8 | C15 | H16 | H18 | 90.0° | 120.0° |
C8 | C15 | H17 | H18 | 90.0° | 120.0° |
CL2 | C5 | C6 | CL1 | 90.0° | 0.2° |
H7 | C10 | C11 | H8 | 90.0° | 38.1° |
H7 | C10 | C11 | H9 | 90.0° | 160.7° |
H7 | C10 | C14 | H14 | 90.0° | 160.9° |
H7 | C10 | C14 | H15 | 90.0° | 38.1° |
H8 | C11 | C12 | H10 | 90.0° | 23.1° |
H8 | C11 | C12 | H11 | 90.0° | 98.4° |
H9 | C11 | C12 | H10 | 90.0° | 145.6° |
H9 | C11 | C12 | H11 | 90.0° | 24.2° |
H10 | C12 | C13 | H12 | 90.0° | 0.0° |
H10 | C12 | C13 | H13 | 90.0° | 121.5° |
H11 | C12 | C13 | H12 | 90.0° | 121.5° |
H11 | C12 | C13 | H13 | 90.0° | 0.0° |
H12 | C13 | C14 | H14 | 90.0° | 145.7° |
H12 | C13 | C14 | H15 | 90.0° | 23.1° |
H13 | C13 | C14 | H14 | 90.0° | 24.2° |
H13 | C13 | C14 | H15 | 90.0° | 98.4° |
H16 | C15 | H17 | H18 | 90.0° | 120.0° |