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Information card for entry 4036463
Preview
| Coordinates | 4036463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H19 N O2 |
|---|---|
| Calculated formula | C23 H19 N O2 |
| SMILES | C(=O)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Nc2ccccc12)c1ccccc1.C(=O)(C[C@H](c1ccccc1)[C@H]1C(=O)Nc2ccccc12)c1ccccc1 |
| Title of publication | 2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations. |
| Authors of publication | Miao, Chun-Bao; Zeng, Yu-Mei; Shi, Tong; Liu, Rui; Wei, Peng-Fei; Sun, Xiao-Qiang; Yang, Hai-Tao |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 1 |
| Pages of publication | 43 - 50 |
| a | 10.4215 ± 0.0015 Å |
| b | 13.6655 ± 0.0019 Å |
| c | 13.0813 ± 0.0019 Å |
| α | 90° |
| β | 105.12 ± 0.003° |
| γ | 90° |
| Cell volume | 1798.5 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0659 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1443 |
| Weighted residual factors for all reflections included in the refinement | 0.1617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4036463.cif |
| 234726 | 2019-11-23 | cif/ Adding structures of 4036463 via cif-deposit CGI script. |
4036463.cif |
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Users of the data should acknowledge the original authors of the
structural data.