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Information card for entry 7160737
Preview
| Coordinates | 7160737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H13 Br F N S |
|---|---|
| Calculated formula | C23 H13 Br F N S |
| Title of publication | Stitching ynones with indolin-2-thiones: An eco-friendly reaction cascade towards functionalized thiopyrano[2,3-b]indoles and their inceptive optoelectronic profiling |
| Authors of publication | Balasubramani, Alagesan; Shivachalappa Salgar, Rupali; Lingamallu, Giribabu; Pabbaraja, Srihari; Mehta, Goverdhan |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.555 ± 0.006 Å |
| b | 10.663 ± 0.006 Å |
| c | 11.118 ± 0.006 Å |
| α | 115.183 ± 0.008° |
| β | 110.52 ± 0.01° |
| γ | 95.253 ± 0.01° |
| Cell volume | 920.5 ± 0.9 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0876 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.2006 |
| Weighted residual factors for all reflections included in the refinement | 0.2199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302216 (current) | 2025-09-23 | cif/ Adding structures of 7160736, 7160737 via cif-deposit CGI script. |
7160737.cif |
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Users of the data should acknowledge the original authors of the
structural data.