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Information card for entry 1543438
Preview
| Coordinates | 1543438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H19 N O2 |
|---|---|
| Calculated formula | C19 H19 N O2 |
| SMILES | C(=C)(c1ccccc1)CN1C(=O)[C@@](c2c1cccc2)(C)CO |
| Title of publication | Synthesis of Quaternary 3,3-Disubstituted 2-Oxindoles from 2-Substituted Indole Using Selectfluor. |
| Authors of publication | Jiang, Xiaojian; Yang, Junjie; Zhang, Feng; Yu, Pei; Yi, Peng; Sun, Yewei; Wang, Yuqiang |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 13 |
| Pages of publication | 3154 - 3157 |
| a | 5.9339 ± 0.0002 Å |
| b | 12.3047 ± 0.0005 Å |
| c | 21.7128 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1585.36 ± 0.11 Å3 |
| Cell temperature | 199.16 ± 0.1 K |
| Ambient diffraction temperature | 199.16 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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 |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543438.cif |
| 184952 | 2016-08-05 | cif/ Updating files of 1543438 Original log message: Adding full bibliography for 1543438.cif. |
1543438.cif |
| 183496 | 2016-06-16 | cif/ Adding structures of 1543438 via cif-deposit CGI script. |
1543438.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.