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Information card for entry 7160452
Preview
| Coordinates | 7160452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H16 N2 O2 |
|---|---|
| Calculated formula | C25 H16 N2 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 | 9.2194 ± 0.0012 Å |
| b | 10.0506 ± 0.0014 Å |
| c | 10.4838 ± 0.0014 Å |
| α | 101.017 ± 0.008° |
| β | 101.391 ± 0.007° |
| γ | 93.642 ± 0.007° |
| Cell volume | 929.6 ± 0.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1669 |
| Residual factor for significantly intense reflections | 0.1078 |
| Weighted residual factors for significantly intense reflections | 0.1599 |
| Weighted residual factors for all reflections included in the refinement | 0.1812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.242 |
| 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. |
7160452.cif |
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Users of the data should acknowledge the original authors of the
structural data.