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Information card for entry 7155295
Preview
| Coordinates | 7155295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H35 F N2 O4 |
|---|---|
| Calculated formula | C39 H35 F N2 O4 |
| SMILES | Fc1ccc2N(Cc3ccccc3)C(=O)[C@](c2c1)([C@@H](O)C(=O)OCC)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1.Fc1ccc2N(Cc3ccccc3)C(=O)[C@@](c2c1)([C@H](O)C(=O)OCC)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1 |
| Title of publication | A Rh(ii)-catalyzed three-component reaction of 3-diazooxindoles with N,N-disubstituted anilines and glyoxylates for the synthesis of 3-aryl-3-substituted oxindoles. |
| Authors of publication | Jia, Shi-Kun; Song, Long-Long; Lei, Yu-Bing; Gopi Krishna Reddy, A.; Xing, Dong; Hu, Wen-Hao |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 43 |
| Pages of publication | 10157 - 10160 |
| a | 12.3506 ± 0.0005 Å |
| b | 15.093 ± 0.0006 Å |
| c | 17.7124 ± 0.0007 Å |
| α | 90° |
| β | 100.508 ± 0.002° |
| γ | 90° |
| Cell volume | 3246.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1551 |
| Residual factor for significantly intense reflections | 0.0818 |
| Weighted residual factors for significantly intense reflections | 0.2286 |
| Weighted residual factors for all reflections included in the refinement | 0.2925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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. |
7155295.cif |
| 188292 | 2016-11-08 | cif/ Updating files of 7155295 Original log message: Adding full bibliography for 7155295.cif. |
7155295.cif |
| 186927 | 2016-10-05 | cif/ Adding structures of 7155295 via cif-deposit CGI script. |
7155295.cif |
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