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Information card for entry 7160707
Preview
| Coordinates | 7160707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H16 N2 S2 |
|---|---|
| Calculated formula | C25 H16 N2 S2 |
| Title of publication | Visible-Light-Induced Regioselective Chalcogenation of Indoloquinoxalines via Cross-Dehydrogenative Coupling Under Metal-Free, Open-air Conditions |
| Authors of publication | Bera, Biman; Dutta, Rahul; Ghorai, Shubhankar; Ganguly, Jhuma; Bera, Mrinal K. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 12.6925 ± 0.0019 Å |
| b | 15.819 ± 0.002 Å |
| c | 10.5522 ± 0.0016 Å |
| α | 90° |
| β | 112.458 ± 0.005° |
| γ | 90° |
| Cell volume | 1958 ± 0.5 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 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 | 0.1122 |
| Residual factor for significantly intense reflections | 0.0853 |
| Weighted residual factors for significantly intense reflections | 0.2232 |
| Weighted residual factors for all reflections included in the refinement | 0.2479 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301927 (current) | 2025-08-29 | cif/ Adding structures of 7160707 via cif-deposit CGI script. |
7160707.cif |
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Users of the data should acknowledge the original authors of the
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