Information card for entry 4032079
| Formula |
C17 H22 O4 |
| Calculated formula |
C17 H22 O4 |
| SMILES |
O[C@@H]1C(=C[C@@H](O)[C@@H](OC)[C@@H]1O)/C=C/c1cc(cc(c1)C)C |
| Title of publication |
The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents. |
| Authors of publication |
Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2017 |
| Journal volume |
82 |
| Journal issue |
1 |
| Pages of publication |
211 - 233 |
| a |
4.7176 ± 0.0002 Å |
| b |
11.731 ± 0.0004 Å |
| c |
13.7171 ± 0.0006 Å |
| α |
90° |
| β |
90.035 ± 0.004° |
| γ |
90° |
| Cell volume |
759.13 ± 0.05 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
3 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0802 |
| Residual factor for significantly intense reflections |
0.0801 |
| Weighted residual factors for all reflections |
0.2203 |
| Weighted residual factors for significantly intense reflections |
0.2202 |
| Weighted residual factors for all reflections included in the refinement |
0.2203 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0058 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4032079.html
