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Information card for entry 1556257
Preview
| Coordinates | 1556257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H12 N2 O4 |
|---|---|
| Calculated formula | C17 H12 N2 O4 |
| SMILES | c1c(c2c(cccc2)n1C)C(=O)C(=O)c1ccc(cc1)N(=O)=O |
| Title of publication | Direct regioselective oxidative cross-coupling of indoles with methyl ketones: a novel route to C3-dicarbonylation of indoles. |
| Authors of publication | Gao, Qinghe; Zhang, Jingjing; Wu, Xia; Liu, Shan; Wu, Anxin |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 1 |
| Pages of publication | 134 - 137 |
| a | 13.389 ± 0.003 Å |
| b | 7.794 ± 0.0019 Å |
| c | 13.881 ± 0.003 Å |
| α | 90° |
| β | 90.579 ± 0.004° |
| γ | 90° |
| Cell volume | 1448.5 ± 0.6 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1124 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243603 (current) | 2019-11-26 | cif/ Adding structures of 1556257 via cif-deposit CGI script. |
1556257.cif |
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Users of the data should acknowledge the original authors of the
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