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Information card for entry 7135155
Preview
| Coordinates | 7135155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H59 Br Cl2 N2 Pd |
|---|---|
| Calculated formula | C46 H59 Br Cl2 N2 Pd |
| Title of publication | Mild cross-coupling of tertiary alkoxides with aryl chlorides enabled by a shelf-stable methylnaphthyl palladium NHC complex |
| Authors of publication | Tzouras, Nikolaos V.; Fleischer, Ruben; Satta, Pierpaolo; Manna, Sourav; Doppiu, Angelino; Goossen, Lukas J. |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 13.0408 ± 0.0001 Å |
| b | 15.0939 ± 0.0001 Å |
| c | 21.6308 ± 0.0001 Å |
| α | 90° |
| β | 95.267 ± 0.001° |
| γ | 90° |
| Cell volume | 4239.75 ± 0.05 Å3 |
| Cell temperature | 106 ± 2 K |
| Ambient diffraction temperature | 106 ± 2 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 | 0.0433 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303214 (current) | 2025-11-07 | cif/ Adding structures of 7135155 via cif-deposit CGI script. |
7135155.cif |
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Users of the data should acknowledge the original authors of the
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