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Information card for entry 1542534
Preview
| Coordinates | 1542534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H18 N2 O3 |
|---|---|
| Calculated formula | C19 H18 N2 O3 |
| SMILES | N1(C(=O)C(OOC(C)(C)C)(c2c1cccc2)C#N)c1ccccc1 |
| Title of publication | 3-Alkylperoxy-3-cyano-oxindoles from 2-Cyano-2-diazo-N-phenyl-acetamides via Cyclizing Carbene Insertion and Subsequent Radical Oxidation. |
| Authors of publication | Kischkewitz, Marvin; Daniliuc, Constantin-Gabriel; Studer, Armido |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 5 |
| Pages of publication | 1206 |
| a | 18.7959 ± 0.0005 Å |
| b | 22.7469 ± 0.0005 Å |
| c | 8.0182 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3428.17 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1542534.cif |
| 177450 | 2016-03-04 | cif/ Updating files of 1542534 Original log message: Adding full bibliography for 1542534.cif. |
1542534.cif |
| 176839 | 2016-02-24 | cif/ Adding structures of 1542534 via cif-deposit CGI script. |
1542534.cif |
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Users of the data should acknowledge the original authors of the
structural data.