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Information card for entry 7714254
Preview
| Coordinates | 7714254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 Cl2 N3 Pd |
|---|---|
| Calculated formula | C13 H15 Cl2 N3 Pd |
| SMILES | [Pd]1(Cl)(Cl)[n]2c(CN1c1[n+](C)cccc1C)cccc2 |
| Title of publication | Electronically flexible PYA ligands for efficient palladium-catalyzed α-arylation of ketones |
| Authors of publication | Reusser, Esaie; Albrecht, Martin |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 9.85526 ± 0.00008 Å |
| b | 13.58959 ± 0.00009 Å |
| c | 11.48119 ± 0.00009 Å |
| α | 90° |
| β | 107.997 ± 0.0008° |
| γ | 90° |
| Cell volume | 1462.43 ± 0.02 Å3 |
| Cell temperature | 173.01 ± 0.1 K |
| Ambient diffraction temperature | 173.01 ± 0.1 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 | 0.0308 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287024 (current) | 2023-10-19 | cif/ Adding structures of 7714251, 7714252, 7714253, 7714254, 7714255, 7714256, 7714257 via cif-deposit CGI script. |
7714254.cif |
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Users of the data should acknowledge the original authors of the
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