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Information card for entry 7160454
Preview
| Coordinates | 7160454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H13 N3 O |
|---|---|
| Calculated formula | C20 H13 N3 O |
| 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 | 13.5858 ± 0.0008 Å |
| b | 7.0142 ± 0.0004 Å |
| c | 19.7041 ± 0.0011 Å |
| α | 90° |
| β | 95.905 ± 0.002° |
| γ | 90° |
| Cell volume | 1867.71 ± 0.19 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 | 0.0763 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.1784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| 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. |
7160454.cif |
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Users of the data should acknowledge the original authors of the
structural data.