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Information card for entry 7156934
Preview
| Coordinates | 7156934.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H22 Br N O9 |
|---|---|
| Calculated formula | C23 H22 Br N O9 |
| Title of publication | [2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles. |
| Authors of publication | Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 28 |
| Pages of publication | 6821 - 6830 |
| a | 11.6608 ± 0.0001 Å |
| b | 15.2184 ± 0.0001 Å |
| c | 13.2038 ± 0.0001 Å |
| α | 90° |
| β | 91.133 ± 0.001° |
| γ | 90° |
| Cell volume | 2342.67 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| 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 |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7156934.cif |
| 225028 | 2019-11-08 | cif/ Updating files of 7156931, 7156932, 7156933, 7156934 Original log message: Adding full bibliography for 7156931--7156934.cif. |
7156934.cif |
| 216490 | 2019-06-22 | cif/ Adding structures of 7156931, 7156932, 7156933, 7156934 via cif-deposit CGI script. |
7156934.cif |
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Users of the data should acknowledge the original authors of the
structural data.