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Information card for entry 7119200
Preview
| Coordinates | 7119200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | N-acetyoxyindole |
|---|---|
| Formula | C10 H9 N O2 |
| Calculated formula | C10 H9 N O2 |
| SMILES | c12c(cccc1)CC(=O)N2C(=O)C |
| Title of publication | Synthesis of oxindole from acetanilide via Ir(iii)-catalyzed C-H carbenoid functionalization. |
| Authors of publication | Patel, Pitambar; Borah, Gongutri |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 53 |
| Journal issue | 2 |
| Pages of publication | 443 - 446 |
| a | 7.4444 ± 0.0008 Å |
| b | 8.2789 ± 0.0009 Å |
| c | 13.8475 ± 0.0015 Å |
| α | 90° |
| β | 93.494 ± 0.004° |
| γ | 90° |
| Cell volume | 851.86 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0515 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| 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. |
7119200.cif |
| 189728 | 2017-01-01 | cif/ Adding structures of 7119200 via cif-deposit CGI script. |
7119200.cif |
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Users of the data should acknowledge the original authors of the
structural data.