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Information card for entry 7132128
Preview
| Coordinates | 7132128.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 N3 Pd |
|---|---|
| Calculated formula | C27 H23 N3 Pd |
| SMILES | [Pd]1(c2ccccc2c2ccccc12)([n]1ccccc1)[n]1ccccc1.n1ccccc1 |
| Title of publication | Swift C–C Bond Insertion by a 12-Electron Palladium(0) Surrogate |
| Authors of publication | Breitwieser, Kevin; Dankert, Fabian; Gruenwald, Annette; Mayer, Paula R.; Heinemann, Frank; Munz, Dominik |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 9.6158 ± 0.0006 Å |
| b | 10.0704 ± 0.0007 Å |
| c | 12.4686 ± 0.0008 Å |
| α | 80.144 ± 0.002° |
| β | 75.837 ± 0.002° |
| γ | 67.448 ± 0.002° |
| Cell volume | 1077.14 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286338 (current) | 2023-09-15 | cif/ Adding structures of 7132127, 7132128, 7132129, 7132130, 7132131 via cif-deposit CGI script. |
7132128.cif |
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