EAC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O8 | C14 | doub | 1.21Å | 1.24Å | |
C14 | C13 | sing | 1.51Å | 1.53Å | |
C14 | C15 | sing | 1.51Å | 1.55Å | |
C15 | C10 | sing | 1.51Å | 1.58Å | |
O6 | C10 | doub | 1.21Å | 1.26Å | |
C10 | O5 | sing | 1.34Å | 1.53Å | |
O5 | C9 | sing | 1.45Å | 1.48Å | |
C9 | C4 | sing | 1.53Å | 1.55Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C9 | H4 | sing | 1.09Å | 1.10Å | |
C9 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
C13 | H7 | sing | 1.09Å | 1.10Å | |
C13 | H8 | sing | 1.09Å | 1.10Å | |
C15 | H9 | sing | 1.09Å | 1.10Å | |
C15 | H10 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O8 | C14 | C13 | 120.7° | 120.0° |
O8 | C14 | C15 | 120.9° | 120.0° |
C13 | C14 | C15 | 118.4° | 119.9° |
C14 | C13 | H6 | 109.5° | 109.5° |
C14 | C13 | H7 | 109.5° | 109.4° |
C14 | C13 | H8 | 109.4° | 109.4° |
C14 | C15 | C10 | 118.5° | 109.5° |
C14 | C15 | H9 | 107.2° | 109.5° |
C14 | C15 | H10 | 107.2° | 109.5° |
C15 | C10 | O6 | 119.3° | 120.0° |
C15 | C10 | O5 | 118.9° | 120.0° |
C10 | C15 | H9 | 107.2° | 109.4° |
C10 | C15 | H10 | 107.2° | 109.4° |
O6 | C10 | O5 | 121.8° | 120.0° |
C10 | O5 | C9 | 127.8° | 117.0° |
O5 | C9 | C4 | 115.6° | 109.5° |
O5 | C9 | H4 | 107.9° | 109.4° |
O5 | C9 | H5 | 107.9° | 109.4° |
C9 | C4 | H1 | 109.5° | 109.5° |
C9 | C4 | H2 | 109.4° | 109.5° |
C9 | C4 | H3 | 109.4° | 109.4° |
C4 | C9 | H4 | 107.9° | 109.5° |
C4 | C9 | H5 | 107.9° | 109.5° |
H1 | C4 | H2 | 109.5° | 109.5° |
H1 | C4 | H3 | 109.5° | 109.5° |
H2 | C4 | H3 | 109.5° | 109.5° |
H4 | C9 | H5 | 109.5° | 109.5° |
H6 | C13 | H7 | 109.4° | 109.5° |
H6 | C13 | H8 | 109.5° | 109.5° |
H7 | C13 | H8 | 109.5° | 109.4° |
H9 | C15 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O8 | C14 | C13 | C15 | 178.8° | 180.0° |
O8 | C14 | C15 | C10 | 70.4° | 0.0° |
O8 | C14 | C13 | H6 | 0.0° | 180.0° |
O8 | C14 | C13 | H7 | 120.0° | 60.0° |
O8 | C14 | C13 | H8 | 120.0° | 60.0° |
O8 | C14 | C15 | H9 | 50.9° | 120.0° |
O8 | C14 | C15 | H10 | 168.4° | 120.0° |
C13 | C14 | C15 | C10 | 110.8° | 180.0° |
C14 | C13 | H6 | H7 | 120.0° | 120.0° |
C14 | C13 | H6 | H8 | 120.0° | 120.0° |
C14 | C13 | H7 | H8 | 120.0° | 119.9° |
C13 | C14 | C15 | H9 | 127.9° | 60.0° |
C13 | C14 | C15 | H10 | 10.5° | 60.0° |
C14 | C15 | C10 | H9 | 121.3° | 120.0° |
C14 | C15 | C10 | H10 | 121.3° | 120.0° |
C14 | C15 | C10 | O6 | 17.6° | 0.0° |
C14 | C15 | C10 | O5 | 163.5° | 180.0° |
C15 | C14 | C13 | H6 | 178.8° | 0.0° |
C15 | C14 | C13 | H7 | 61.2° | 120.0° |
C15 | C14 | C13 | H8 | 58.8° | 120.0° |
C14 | C15 | H9 | H10 | 115.9° | 120.1° |
C15 | C10 | O6 | O5 | 178.9° | 180.0° |
C15 | C10 | O5 | C9 | 149.5° | 180.0° |
C10 | C15 | H9 | H10 | 115.9° | 120.0° |
O6 | C10 | O5 | C9 | 31.7° | 0.0° |
O6 | C10 | C15 | H9 | 103.7° | 120.0° |
O6 | C10 | C15 | H10 | 138.9° | 120.0° |
C10 | O5 | C9 | C4 | 147.4° | 180.0° |
C10 | O5 | C9 | H4 | 91.7° | 60.0° |
C10 | O5 | C9 | H5 | 26.5° | 60.0° |
O5 | C10 | C15 | H9 | 75.2° | 60.0° |
O5 | C10 | C15 | H10 | 42.2° | 60.0° |
O5 | C9 | C4 | H4 | 120.9° | 120.0° |
O5 | C9 | C4 | H5 | 120.9° | 120.0° |
O5 | C9 | C4 | H1 | 180.0° | 60.0° |
O5 | C9 | C4 | H2 | 60.0° | 60.0° |
O5 | C9 | C4 | H3 | 60.0° | 180.0° |
O5 | C9 | H4 | H5 | 117.2° | 120.0° |
C9 | C4 | H1 | H2 | 120.0° | 120.0° |
C9 | C4 | H1 | H3 | 120.0° | 119.9° |
C9 | C4 | H2 | H3 | 119.9° | 119.9° |
C4 | C9 | H4 | H5 | 117.2° | 120.1° |
H1 | C4 | H2 | H3 | 120.0° | 120.1° |
H1 | C4 | C9 | H4 | 59.1° | 60.0° |
H1 | C4 | C9 | H5 | 59.1° | 180.0° |
H2 | C4 | C9 | H4 | 179.1° | 180.0° |
H2 | C4 | C9 | H5 | 60.9° | 60.0° |
H3 | C4 | C9 | H4 | 60.9° | 60.0° |
H3 | C4 | C9 | H5 | 179.1° | 60.0° |
H6 | C13 | H7 | H8 | 120.0° | 120.0° |