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Information card for entry 7135108
Preview
| Coordinates | 7135108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H25 Cl N2 O2 |
|---|---|
| Calculated formula | C23 H25 Cl N2 O2 |
| Title of publication | Palladium-Catalysed Asymmetric Allylic Alkylation of Hydantoins using Bench-Stable Chiral Palladium Precatalysts |
| Authors of publication | Liu, Shiqi; Ma, Yao-Rui; Leitch, David; Arseniyadis, Stellios; Jean, Alexandre; Clark, Paul; Keenan, Thomas; Huang, Jingjun; Hasija, Avantika; Huang, Pei-Qiang |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 10.5633 ± 0.0002 Å |
| b | 10.5879 ± 0.0002 Å |
| c | 18.4454 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2062.99 ± 0.07 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0279 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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 |
|---|---|---|---|
| 303008 (current) | 2025-10-28 | cif/ Adding structures of 7135108 via cif-deposit CGI script. |
7135108.cif |
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Users of the data should acknowledge the original authors of the
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