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Information card for entry 1534129
Preview
| Coordinates | 1534129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H19 N O4 |
|---|---|
| Calculated formula | C23 H19 N O4 |
| SMILES | O=C1C(=O)C(=C2N(C(=O)C(C2=C1)(C)C)c1ccccc1)c1ccc(OC)cc1 |
| Title of publication | A bio-inspired synthesis of oxindoles by catalytic aerobic dual C–H functionalization of phenols |
| Authors of publication | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 358 |
| a | 7.6287 ± 0.0009 Å |
| b | 11.5801 ± 0.0013 Å |
| c | 20.615 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1821.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0565 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0829 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301778 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure. |
1534129.cif |
| 175924 | 2016-02-05 | cif/ Updating files of 1534126, 1534127, 1534128, 1534129, 1534130 Original log message: Adding full bibliography for 1534126--1534130.cif. |
1534129.cif |
| 160592 | 2015-10-07 | cif/ Adding structures of 1534126, 1534127, 1534128, 1534129, 1534130 via cif-deposit CGI script. |
1534129.cif |
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Users of the data should acknowledge the original authors of the
structural data.