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Information card for entry 7160453
Preview
| Coordinates | 7160453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H13 N3 O2 |
|---|---|
| Calculated formula | C19 H13 N3 O2 |
| Title of publication | Synthesis of indole-linked β-cyano-enones: a pathway to indolyl-2-pyrrolones. |
| Authors of publication | Mondal, Nurabul; Kumari, Vidya; Ali, Danish; Choudhury, Lokman H. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 10.4772 ± 0.0006 Å |
| b | 22.4464 ± 0.0013 Å |
| c | 9.0718 ± 0.0004 Å |
| α | 90° |
| β | 96.262 ± 0.002° |
| γ | 90° |
| Cell volume | 2120.7 ± 0.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.0826 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.2339 |
| Weighted residual factors for all reflections included in the refinement | 0.2429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298635 (current) | 2025-03-28 | cif/ Adding structures of 7160452, 7160453, 7160454 via cif-deposit CGI script. |
7160453.cif |
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Users of the data should acknowledge the original authors of the
structural data.