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Information card for entry 7160736
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| Coordinates | 7160736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H15 N S |
|---|---|
| Calculated formula | C23 H15 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 | 9.755 ± 0.002 Å |
| b | 17.605 ± 0.004 Å |
| c | 19.937 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3423.9 ± 1.4 Å3 |
| Cell temperature | 102 ± 2 K |
| Ambient diffraction temperature | 102 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1247 |
| Weighted residual factors for all reflections included in the refinement | 0.1296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0124 |
| 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 |
|---|---|---|---|
| 302216 (current) | 2025-09-23 | cif/ Adding structures of 7160736, 7160737 via cif-deposit CGI script. |
7160736.cif |
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Users of the data should acknowledge the original authors of the
structural data.