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Information card for entry 7240053
Preview
| Coordinates | 7240053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H19 N O4 |
|---|---|
| Calculated formula | C20 H19 N O4 |
| SMILES | O(C1N(c2c(C1=O)cccc2)C(=O)C)C(=O)c1c(cc(cc1C)C)C |
| Title of publication | Direct C(sp3)–H acyloxylation of indolin-3-ones with carboxylic acids catalysed by KI |
| Authors of publication | Zhao, Yong-Long; Tang, Yong-Qin; Fei, Xing-Hai; Yang, Fen-Fen; Cao, Zhuo-Xian; Duan, Dong-Zhu; Zhao, Qing-Jie; Yang, Yuan-Yong; Zhou, Meng; He, Bin |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 8 |
| Pages of publication | 2354 - 2358 |
| a | 8.4606 ± 0.0004 Å |
| b | 16.9137 ± 0.0008 Å |
| c | 35.129 ± 0.003 Å |
| α | 90° |
| β | 90.02 ± 0.02° |
| γ | 90° |
| Cell volume | 5027 ± 0.5 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1179 |
| Weighted residual factors for all reflections included in the refinement | 0.1354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240053.cif |
| 257581 | 2020-10-06 | cif/ Updating files of 7240053 Original log message: Adding full bibliography for 7240053.cif. |
7240053.cif |
| 251673 | 2020-05-05 | cif/ Updating files of 7240053 Original log message: Adding full bibliography for 7240053.cif. |
7240053.cif |
| 249068 | 2020-03-05 | cif/ Adding structures of 7240053 via cif-deposit CGI script. |
7240053.cif |
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Users of the data should acknowledge the original authors of the
structural data.