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Information card for entry 4038337
Preview
| Coordinates | 4038337.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H27 N O |
|---|---|
| Calculated formula | C20 H27 N O |
| Title of publication | Palladium-Catalyzed Synthesis of <i>N</i>,<i>N-</i>Dimethylanilines via Buchwald-Hartwig Amination of (Hetero)aryl Triflates. |
| Authors of publication | Taeufer, Tobias; Pospech, Jola |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.234 ± 0.0002 Å |
| b | 12.4121 ± 0.0004 Å |
| c | 16.2533 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1661.11 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1217 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251933 (current) | 2020-05-10 | cif/ Adding structures of 4038337 via cif-deposit CGI script. |
4038337.cif |
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Users of the data should acknowledge the original authors of the
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