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Information card for entry 7240295
Preview
| Coordinates | 7240295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H11 N O3 |
|---|---|
| Calculated formula | C12 H11 N O3 |
| SMILES | O(C(=O)C(=C)C1NC(=O)c2c1cccc2)C |
| Title of publication | Environmentally benign access to isoindolinones: synthesis, separation and resource recycling |
| Authors of publication | Guo, Weiwei; Zhang, Qi; Cao, Yang; Cai, Kaihua; Zhang, Shengyong; Chai, Yonghai |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 9 |
| Pages of publication | 2873 - 2878 |
| a | 4.1648 ± 0.0003 Å |
| b | 10.9613 ± 0.0006 Å |
| c | 12.044 ± 0.0007 Å |
| α | 105.854 ± 0.005° |
| β | 90.015 ± 0.006° |
| γ | 94.64 ± 0.006° |
| Cell volume | 527.04 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.1181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7240295.cif |
| 257616 | 2020-10-06 | cif/ Updating files of 7240295 Original log message: Adding full bibliography for 7240295.cif. |
7240295.cif |
| 252845 | 2020-06-05 | cif/ Updating files of 7240295 Original log message: Adding full bibliography for 7240295.cif. |
7240295.cif |
| 250672 | 2020-04-11 | cif/ Adding structures of 7240295 via cif-deposit CGI script. |
7240295.cif |
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Users of the data should acknowledge the original authors of the
structural data.