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Information card for entry 7118693
Preview
| Coordinates | 7118693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H23 Br N2 O4 S |
|---|---|
| Calculated formula | C22 H23 Br N2 O4 S |
| Title of publication | The enantioselective construction of chiral spirooxindole-based 4-thiazolidinone via asymmetric catalytic formal [3+2] annulation using a bifunctional catalyst. |
| Authors of publication | Cheng, Ping; Guo, Wengang; Chen, Ping; Liu, Yan; Du, Xin; Li, Can |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 16 |
| Pages of publication | 3418 - 3421 |
| a | 10.3517 ± 0.0008 Å |
| b | 17.5995 ± 0.0015 Å |
| c | 13.2555 ± 0.0011 Å |
| α | 90° |
| β | 103.504 ± 0.002° |
| γ | 90° |
| Cell volume | 2348.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1506 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1187 |
| Weighted residual factors for all reflections included in the refinement | 0.1528 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118693.cif |
| 177673 | 2016-03-05 | cif/ Updating files of 7118693, 7118694 Original log message: Adding full bibliography for 7118693--7118694.cif. |
7118693.cif |
| 175439 | 2016-02-03 | cif/ Adding structures of 7118693, 7118694 via cif-deposit CGI script. |
7118693.cif |
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Users of the data should acknowledge the original authors of the
structural data.