Information card for entry 4032078
| Formula |
C17 H20 O4 |
| Calculated formula |
C17 H20 O4 |
| SMILES |
O[C@H]1[C@@H](O)[C@H](OC)[C@H](O)C=C1C#Cc1cc(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 |
4.6659 ± 0.0003 Å |
| b |
11.9898 ± 0.0009 Å |
| c |
13.673 ± 0.001 Å |
| α |
90° |
| β |
90.47 ± 0.004° |
| γ |
90° |
| Cell volume |
764.89 ± 0.09 Å3 |
| Cell temperature |
200 K |
| Ambient diffraction temperature |
200 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 |
0.0414 |
| Residual factor for significantly intense reflections |
0.0356 |
| Weighted residual factors for all reflections |
0.0832 |
| Weighted residual factors for significantly intense reflections |
0.0804 |
| Weighted residual factors for all reflections included in the refinement |
0.0832 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0336 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4032078.html
