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Information card for entry 7118654
Preview
| Coordinates | 7118654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 20150429 |
|---|---|
| Formula | C17 H19 N O7 S |
| Calculated formula | C17 H19 N O7 S |
| SMILES | S1(=O)(=O)OC[C@@H]2N1[C@H](c1c2c(cc(c1)C)/C=C/C(=O)OC)CC(=O)OC |
| Title of publication | Stereoselective synthesis of 1,3-disubstituted isoindolines via Rh(iii)-catalyzed tandem oxidative olefination-cyclization of 4-aryl cyclic sulfamidates. |
| Authors of publication | Son, Se-Mi; Seo, Yeon Ji; Lee, Hyeon-Kyu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 23 |
| Pages of publication | 4286 - 4289 |
| a | 6.2084 ± 0.0001 Å |
| b | 13.742 ± 0.0002 Å |
| c | 21.5303 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1836.88 ± 0.05 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1195 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7118654.cif |
| 181572 | 2016-04-05 | cif/ Updating files of 7118653, 7118654, 7118655, 7118656 Original log message: Adding full bibliography for 7118653--7118656.cif. |
7118654.cif |
| 175190 | 2016-01-28 | cif/ Adding structures of 7118653, 7118654, 7118655, 7118656 via cif-deposit CGI script. |
7118654.cif |
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Users of the data should acknowledge the original authors of the
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