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Information card for entry 7135101
Preview
| Coordinates | 7135101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H16 N2 S |
|---|---|
| Calculated formula | C22 H16 N2 S |
| Title of publication | Eco-friendly synthesis of highly emissive benzothiadiazole-based fluorophores <i>via</i> a solvent-free hand-grinding Horner-Wadsworth-Emmons reaction in ≤1 minute. |
| Authors of publication | Gnanasekaran, Premkumar; Chen, Chia-Yu; Chu, Ting-Hung; Lin, Po-Heng; Chang, Yuan Jay |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| a | 9.5987 ± 0.0005 Å |
| b | 15.087 ± 0.0009 Å |
| c | 11.7651 ± 0.0007 Å |
| α | 90° |
| β | 101.039 ± 0.002° |
| γ | 90° |
| Cell volume | 1672.25 ± 0.17 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 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 | 0.1206 |
| Residual factor for significantly intense reflections | 0.0878 |
| Weighted residual factors for significantly intense reflections | 0.2208 |
| Weighted residual factors for all reflections included in the refinement | 0.2716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71076 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302975 (current) | 2025-10-24 | cif/ Adding structures of 7135100, 7135101 via cif-deposit CGI script. |
7135101.cif |
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Users of the data should acknowledge the original authors of the
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