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Information card for entry 7157202
Preview
| Coordinates | 7157202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 F3 N O S |
|---|---|
| Calculated formula | C16 H16 F3 N O S |
| Title of publication | Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones |
| Authors of publication | Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2019 |
| a | 13.153 ± 0.004 Å |
| b | 15.177 ± 0.005 Å |
| c | 7.937 ± 0.002 Å |
| α | 90° |
| β | 106.57 ± 0.03° |
| γ | 90° |
| Cell volume | 1518.6 ± 0.8 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227690 (current) | 2019-11-13 | cif/ Adding structures of 7157198, 7157199, 7157200, 7157201, 7157202 via cif-deposit CGI script. |
7157202.cif |
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Users of the data should acknowledge the original authors of the
structural data.