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Information card for entry 1577297
Preview
| Coordinates | 1577297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H41 B2 F8 N5 Pd |
|---|---|
| Calculated formula | C28 H41 B2 F8 N5 Pd |
| Title of publication | Aerobic Base-free C-H Bond Activation at a Pd Center in Aqueous Conditions |
| Authors of publication | Bae, Dae Young; Ruhs, Nicholas P.; Mirica, Liviu M. |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 12.1854 ± 0.001 Å |
| b | 13.2252 ± 0.0011 Å |
| c | 19.5898 ± 0.0017 Å |
| α | 90° |
| β | 105.091 ± 0.005° |
| γ | 90° |
| Cell volume | 3048.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.05 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 | 0.1062 |
| Residual factor for significantly intense reflections | 0.0768 |
| Weighted residual factors for significantly intense reflections | 0.1967 |
| Weighted residual factors for all reflections included in the refinement | 0.2208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.