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Information card for entry 1555028
Preview
| Coordinates | 1555028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H13 N O |
|---|---|
| Calculated formula | C15 H13 N O |
| SMILES | O=C1NC(c2c1cccc2)(C)c1ccccc1 |
| Title of publication | Facile Synthesis of Isoindolinones via Rh(III)-Catalyzed One-Pot Reaction of Benzamides, Ketones, and Hydrazines. |
| Authors of publication | Zhang, Yan; Wang, Dahai; Cui, Sunliang |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 10 |
| Pages of publication | 2494 - 2497 |
| a | 26.4383 ± 0.0016 Å |
| b | 26.4383 ± 0.0016 Å |
| c | 8.6956 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5263.8 ± 0.5 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555028.cif |
| 238279 | 2019-11-24 | cif/ Adding structures of 1555028 via cif-deposit CGI script. |
1555028.cif |
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Users of the data should acknowledge the original authors of the
structural data.