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Information card for entry 1542392
Preview
| Coordinates | 1542392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H17 N O5 S |
|---|---|
| Calculated formula | C20 H17 N O5 S |
| SMILES | N1(O)C(C(c2ccccc12)(C(=O)OC)C(=O)OC)c1cc2ccccc2s1 |
| Title of publication | Rh(III)-Catalyzed C-H Cyclization of Arylnitrones with Diazo Compounds: Access to N-Hydroxyindolines. |
| Authors of publication | Dateer, Ramesh B.; Chang, Sukbok |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 1 |
| Pages of publication | 68 - 71 |
| a | 8.6285 ± 0.0008 Å |
| b | 12.7114 ± 0.0012 Å |
| c | 16.784 ± 0.0017 Å |
| α | 90° |
| β | 101.358 ± 0.004° |
| γ | 90° |
| Cell volume | 1804.8 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| 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 |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1542392.cif |
| 175752 | 2016-02-04 | cif/ Adding structures of 1542392 via cif-deposit CGI script. |
1542392.cif |
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Users of the data should acknowledge the original authors of the
structural data.