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Information card for entry 7238991
Preview
| Coordinates | 7238991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H28 N2 O9 |
|---|---|
| Calculated formula | C28 H28 N2 O9 |
| Title of publication | Diversity-oriented synthesis of spiro-oxindole-based 2,5-dihydropyrroles via three-component cycloadditions and evaluation on their cytotoxicity |
| Authors of publication | Tan, Wei; Zhu, Xiao-Tong; Zhang, Shu; Xing, Gui-Juan; Zhu, Ren-Yi; Shi, Feng |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 27 |
| Pages of publication | 10875 |
| a | 18.8356 ± 0.0003 Å |
| b | 9.5741 ± 0.0001 Å |
| c | 15.4158 ± 0.0002 Å |
| α | 90° |
| β | 103.78 ± 0.001° |
| γ | 90° |
| Cell volume | 2699.98 ± 0.06 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 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 | 0.0501 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1179 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238991.cif |
| 244500 | 2019-11-28 | cif/ Adding structures of 7238991 via cif-deposit CGI script. |
7238991.cif |
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Users of the data should acknowledge the original authors of the
structural data.