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Information card for entry 7233379
Preview
| Coordinates | 7233379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-methyl-1-phenyl-4-((3-trifluoromethyl)phenyl)selanyl)-1H-pyrazol-5-amine |
|---|---|
| Formula | C17 H14 F3 N3 Se |
| Calculated formula | C17 H14 F3 N3 Se |
| Title of publication | Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides |
| Authors of publication | Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O. |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 44 |
| Pages of publication | 25368 |
| a | 5.7537 ± 0.0002 Å |
| b | 23.2453 ± 0.0008 Å |
| c | 12.4112 ± 0.0005 Å |
| α | 90° |
| β | 90.937 ± 0.004° |
| γ | 90° |
| Cell volume | 1659.73 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0408 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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 |
|---|---|---|---|
| 217522 (current) | 2019-08-14 | cif/ Adding structures of 7233377, 7233378, 7233379, 7233380, 7233381, 7233382, 7233383, 7233384 via cif-deposit CGI script. |
7233379.cif |
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Users of the data should acknowledge the original authors of the
structural data.