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Information card for entry 7158010
Preview
| Coordinates | 7158010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H19 N O3 |
|---|---|
| Calculated formula | C27 H19 N O3 |
| SMILES | N1([C@]2(C(=O)c3c1cccc3)[C@@H]([C@H]2c1cc2c(cc1)cccc2)c1ccccc1)C(=O)O.N1([C@@]2(C(=O)c3c1cccc3)[C@H]([C@@H]2c1cc2c(cc1)cccc2)c1ccccc1)C(=O)O |
| Title of publication | Stereoselective synthesis of 2-spirocyclopropyl-indolin-3-ones through cyclopropanation of aza-aurones with tosylhydrazones. |
| Authors of publication | Pirovano, Valentina; Brambilla, Elisa; Riva, Marika; Leoni, Sara; Rizzato, Silvia; Garanzini, Davide; Abbiati, Giorgio; Rossi, Elisabetta |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 17 |
| Pages of publication | 3925 - 3931 |
| a | 10.301 ± 0.002 Å |
| b | 6.87 ± 0.001 Å |
| c | 29.971 ± 0.006 Å |
| α | 90° |
| β | 97.272 ± 0.003° |
| γ | 90° |
| Cell volume | 2103.9 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0842 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1359 |
| Weighted residual factors for all reflections included in the refinement | 0.1491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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 |
|---|---|---|---|
| 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. |
7158010.cif |
| 266154 | 2021-06-05 | cif/ Updating files of 7158010 Original log message: Adding full bibliography for 7158010.cif. |
7158010.cif |
| 263935 | 2021-04-07 | cif/ Adding structures of 7158010 via cif-deposit CGI script. |
7158010.cif |
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Users of the data should acknowledge the original authors of the
structural data.