4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid (156) Summary
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- 4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid (156) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-C3.3-C4.43-2-1-0 C1.4-C2.3-C3.2-C4.1 | -179.743 | Rigid |
| 2 | C1.1-C2.2-C7.9-C6.87-8-1-0 C1.8-C2.9-C7.2-C6.1 | 173.744 | Rigid |
| 3 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | -3.513 | Rigid Ring |
| 4 | C2.2-C7.9-C6.8-C5.54-7-8-1 C2.5-C7.8-C6.9-C5.2 | 12.582 | Rigid Ring |
| 5 | C3.3-C2.2-C7.9-C6.87-8-1-2 C3.8-C2.9-C7.2-C6.3 | -17.756 | Rigid Ring |
| 6 | C3.3-C4.4-C5.5-C8.65-4-3-2 C3.6-C4.5-C5.4-C8.3 | 174.502 | Rigid |
| 7 | C3.3-C4.4-C5.5-C6.87-4-3-2 C3.8-C4.5-C5.4-C6.3 | -3.729 | Rigid Ring |
| 8 | C4.4-C3.3-C2.2-C7.98-1-2-3 C4.9-C3.2-C2.3-C7.4 | 14.454 | Rigid Ring |
| 9 | C4.4-C5.5-C8.6-C9.76-5-4-3 C4.7-C5.6-C8.5-C9.4 | -177.574 | Rigid |
| 10 | C4.4-C5.5-C6.8-C7.98-7-4-3 C4.9-C5.8-C6.5-C7.4 | -1.479 | Rigid Ring |
| 11 | C5.5-C8.6-C9.7-C10.109-6-5-4 C5.10-C8.7-C9.6-C10.5 | 179.259 | Rigid |
| 12 | C8.6-C5.5-C6.8-C7.98-7-4-5 C8.9-C5.8-C6.5-C7.6 | -179.73 | Rigid |
| 13 | C8.6-C9.7-C10.10-C11.1110-9-6-5 C8.11-C9.10-C10.7-C11.6 | 26.295 | Flexible |
| 14 | C8.6-C9.7-C10.10-O3.2726-9-6-5 C8.27-C9.10-C10.7-O3.6 | -147.717 | Flexible |
| 15 | C9.7-C8.6-C5.5-C6.87-4-5-6 C9.8-C8.5-C5.6-C6.7 | 0.596 | Rigid |
| 16 | C9.7-C10.10-C11.11-C12.1211-10-9-6 C9.12-C10.11-C11.10-C12.7 | -148.449 | Flexible |
| 17 | C9.7-C10.10-C11.11-C20.2019-10-9-6 C9.20-C10.11-C11.10-C20.7 | 31.629 | Flexible |
| 18 | C10.10-C11.11-C12.12-C13.1312-11-10-9 C10.13-C11.12-C12.11-C13.10 | -179.948 | Rigid |
| 19 | C10.10-C11.11-C20.20-C19.1918-19-10-9 C10.19-C11.20-C20.11-C19.10 | -179.95 | Rigid |
| 20 | C11.11-C12.12-C13.13-C14.1413-12-11-10 C11.14-C12.13-C13.12-C14.11 | -179.916 | Rigid Ring |
| 21 | C11.11-C12.12-C13.13-C18.1817-12-11-10 C11.18-C12.13-C13.12-C18.11 | -0.095 | Rigid Ring |
| 22 | C11.11-C20.20-C19.19-C18.1817-18-19-10 C11.18-C20.19-C19.20-C18.11 | -0.116 | Rigid Ring |
| 23 | C12.12-C11.11-C10.10-O3.2726-9-10-11 C12.27-C11.10-C10.11-O3.12 | 25.367 | Flexible |
| 24 | C12.12-C11.11-C20.20-C19.1918-19-10-11 C12.19-C11.20-C20.11-C19.12 | 0.126 | Rigid Ring |
| 25 | C12.12-C13.13-C14.14-C15.1514-13-12-11 C12.15-C13.14-C14.13-C15.12 | -165.024 | Rigid Ring |
| 26 | C12.12-C13.13-C14.14-C21.2120-13-12-11 C12.21-C13.14-C14.13-C21.12 | 74.961 | Rigid |
| 27 | C12.12-C13.13-C14.14-C22.2221-13-12-11 C12.22-C13.14-C14.13-C22.12 | -45.61 | Rigid |
| 28 | C12.12-C13.13-C18.18-C17.1716-17-12-11 C12.17-C13.18-C18.13-C17.12 | -179.809 | Rigid Ring |
| 29 | C12.12-C13.13-C18.18-C19.1918-17-12-11 C12.19-C13.18-C18.13-C19.12 | 0.106 | Rigid Ring |
| 30 | C13.13-C12.12-C11.11-C20.2019-10-11-12 C13.20-C12.11-C11.12-C20.13 | -0.022 | Rigid Ring |
| 31 | C13.13-C14.14-C15.15-C16.1615-14-13-12 C13.16-C14.15-C15.14-C16.13 | -47.082 | Rigid Ring |
| 32 | C13.13-C18.18-C17.17-C16.1615-16-17-12 C13.16-C18.17-C17.18-C16.13 | 15.545 | Rigid Ring |
| 33 | C13.13-C18.18-C17.17-C23.2322-16-17-12 C13.23-C18.17-C17.18-C23.13 | 131.189 | Rigid |
| 34 | C13.13-C18.18-C17.17-C24.2423-16-17-12 C13.24-C18.17-C17.18-C24.13 | -108.358 | Rigid |
| 35 | C13.13-C18.18-C19.19-C20.2019-18-17-12 C13.20-C18.19-C19.18-C20.13 | -0.005 | Rigid Ring |
| 36 | C14.14-C13.13-C18.18-C17.1716-17-12-13 C14.17-C13.18-C18.13-C17.14 | 0.005 | Rigid Ring |
| 37 | C14.14-C13.13-C18.18-C19.1918-17-12-13 C14.19-C13.18-C18.13-C19.14 | 179.92 | Rigid Ring |
| 38 | C14.14-C15.15-C16.16-C17.1716-15-14-13 C14.17-C15.16-C16.15-C17.14 | 66.216 | Rigid Ring |
| 39 | C15.15-C14.14-C13.13-C18.1817-12-13-14 C15.18-C14.13-C13.14-C18.15 | 15.164 | Rigid Ring |
| 40 | C15.15-C16.16-C17.17-C18.1817-16-15-14 C15.18-C16.17-C17.16-C18.15 | -47.486 | Rigid Ring |
| 41 | C15.15-C16.16-C17.17-C23.2322-16-15-14 C15.23-C16.17-C17.16-C23.15 | -166.786 | Rigid |
| 42 | C15.15-C16.16-C17.17-C24.2423-16-15-14 C15.24-C16.17-C17.16-C24.15 | 76.442 | Rigid |
| 43 | C16.16-C15.15-C14.14-C21.2120-13-14-15 C16.21-C15.14-C14.15-C21.16 | 70.772 | Rigid |
| 44 | C16.16-C15.15-C14.14-C22.2221-13-14-15 C16.22-C15.14-C14.15-C22.16 | -168.53 | Rigid |
| 45 | C16.16-C17.17-C18.18-C19.1918-17-16-15 C16.19-C17.18-C18.17-C19.16 | -164.369 | Rigid Ring |
| 46 | C17.17-C18.18-C19.19-C20.2019-18-17-16 C17.20-C18.19-C19.18-C20.17 | 179.914 | Rigid Ring |
| 47 | C18.18-C13.13-C14.14-C21.2120-13-12-17 C18.21-C13.14-C14.13-C21.18 | -104.851 | Rigid |
| 48 | C18.18-C13.13-C14.14-C22.2221-13-12-17 C18.22-C13.14-C14.13-C22.18 | 134.578 | Rigid |
| 49 | C19.19-C18.18-C17.17-C23.2322-16-17-18 C19.23-C18.17-C17.18-C23.19 | -48.725 | Rigid |
| 50 | C19.19-C18.18-C17.17-C24.2423-16-17-18 C19.24-C18.17-C17.18-C24.19 | 71.728 | Rigid |
| 51 | C20.20-C11.11-C10.10-O3.2726-9-10-19 C20.27-C11.10-C10.11-O3.20 | -154.554 | Flexible |
| 52 | O1.25-C1.1-C2.2-C3.32-1-0-24 O1.3-C1.2-C2.1-C3.25 | 22.96 | Flexible |
| 53 | O1.25-C1.1-C2.2-C7.98-1-0-24 O1.9-C1.2-C2.1-C7.25 | -171.112 | Flexible |
| 54 | O2.26-C1.1-C2.2-C3.32-1-0-25 O2.3-C1.2-C2.1-C3.26 | -157.362 | Flexible |
| 55 | O2.26-C1.1-C2.2-C7.98-1-0-25 O2.9-C1.2-C2.1-C7.26 | 8.566 | Flexible |
Dihedrals Histogram