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Information card for entry 7123587
Preview
| Coordinates | 7123587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H25 N O3 S |
|---|---|
| Calculated formula | C25 H25 N O3 S |
| Title of publication | Chemo-, Regio-, and Enantioselective Synthesis of Allylic Nitrones via Rhodium-Catalyzed Addition of Oximes to Allenes |
| Authors of publication | Breit, Bernhard; Wang, Yu-Hsuan |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 8.244 ± 0.003 Å |
| b | 8.741 ± 0.004 Å |
| c | 15.818 ± 0.006 Å |
| α | 90° |
| β | 104.992 ± 0.013° |
| γ | 90° |
| Cell volume | 1101.1 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0305 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123587.cif |
| 215668 | 2019-06-04 | cif/ Adding structures of 7123587 via cif-deposit CGI script. |
7123587.cif |
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Users of the data should acknowledge the original authors of the
structural data.