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Information card for entry 4038850
Preview
| Coordinates | 4038850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ORGANIC |
|---|---|
| Formula | C21 H17 Br N2 O |
| Calculated formula | C21 H17 Br N2 O |
| Title of publication | Catalytic Direct α-Amination of Arylacetic Acid Synthons with Anilines |
| Authors of publication | Kumar, Jogendra; Suresh, Eringathodi; Bhadra, Sukalyan |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2020 |
| a | 16.1173 ± 0.001 Å |
| b | 6.0319 ± 0.0003 Å |
| c | 19.9118 ± 0.0013 Å |
| α | 90° |
| β | 110.983 ± 0.002° |
| γ | 90° |
| Cell volume | 1807.42 ± 0.19 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 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 | 0.0799 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256897 (current) | 2020-10-02 | cif/ Adding structures of 4038850 via cif-deposit CGI script. |
4038850.cif |
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Users of the data should acknowledge the original authors of the
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