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Information card for entry 1542391
Preview
| Coordinates | 1542391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H17 N O5 |
|---|---|
| Calculated formula | C18 H17 N O5 |
| SMILES | ON1c2ccccc2C(C1c1ccccc1)(C(=O)OC)C(=O)OC |
| 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 | 21.3292 ± 0.0008 Å |
| b | 8.2239 ± 0.0003 Å |
| c | 18.2075 ± 0.0007 Å |
| α | 90° |
| β | 91.151 ± 0.002° |
| γ | 90° |
| Cell volume | 3193.1 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| 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. |
1542391.cif |
| 175751 | 2016-02-04 | cif/ Adding structures of 1542391 via cif-deposit CGI script. |
1542391.cif |
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Users of the data should acknowledge the original authors of the
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