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Information card for entry 7228852
Preview
| Coordinates | 7228852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H28 N2 O3 S |
|---|---|
| Calculated formula | C21 H28 N2 O3 S |
| SMILES | S(=O)(N[C@@]1(C(=O)N(c2ccccc12)Cc1ccccc1)CC)C(C)(C)C.O |
| Title of publication | Highly efficient synthesis of chiral quaternary 3-aminooxindoles promoted by zinc(ii) chloride via Et2Zn-catalysed addition of Grignard reagents to isaltin-derived N-tert-butanesulfinyl ketimines |
| Authors of publication | Yang, Shiwei; Bian, Guangling; Chen, Zhongxiang; Xia, Xiaohan; Zhou, Mi; Cui, Caiyan; Song, Ling |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 61 |
| Pages of publication | 38216 |
| a | 8.6256 ± 0.0001 Å |
| b | 22.3286 ± 0.0003 Å |
| c | 10.6389 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2049.03 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0238 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.0624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7228852.cif |
| 199513 | 2017-08-04 | cif/ Adding structures of 7228852 via cif-deposit CGI script. |
7228852.cif |
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Users of the data should acknowledge the original authors of the
structural data.