Information card for entry 7154449
| Chemical name |
2,2-dichloro-3-hydroxy-1-(1H-indol-3-yl)-3-(perfluorophenyl)propan-1-one |
| Formula |
C17 H8 Cl2 F5 N O2 |
| Calculated formula |
C17 H8 Cl2 F5 N O2 |
| SMILES |
ClC(Cl)(C(=O)c1c2c([nH]c1)cccc2)C(O)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication |
Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones. |
| Authors of publication |
Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J. |
| Journal of publication |
Organic & biomolecular chemistry |
| Year of publication |
2015 |
| Journal volume |
13 |
| Journal issue |
20 |
| Pages of publication |
5793 - 5803 |
| a |
7.3186 ± 0.0003 Å |
| b |
9.4938 ± 0.0006 Å |
| c |
11.797 ± 0.0007 Å |
| α |
83.481 ± 0.005° |
| β |
89.534 ± 0.004° |
| γ |
76.102 ± 0.004° |
| Cell volume |
790.37 ± 0.08 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0528 |
| Residual factor for significantly intense reflections |
0.0392 |
| Weighted residual factors for significantly intense reflections |
0.0826 |
| Weighted residual factors for all reflections included in the refinement |
0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7154449.html
