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Information card for entry 7135100
Preview
| Coordinates | 7135100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H20 F4 N2 S |
|---|---|
| Calculated formula | C34 H20 F4 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 | 29.3094 ± 0.0012 Å |
| b | 14.7807 ± 0.0007 Å |
| c | 6.9665 ± 0.0003 Å |
| α | 90° |
| β | 98.9151 ± 0.0015° |
| γ | 90° |
| Cell volume | 2981.5 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1532 |
| Weighted residual factors for all reflections included in the refinement | 0.1643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| 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 |
|---|---|---|---|
| 302975 (current) | 2025-10-24 | cif/ Adding structures of 7135100, 7135101 via cif-deposit CGI script. |
7135100.cif |
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Users of the data should acknowledge the original authors of the
structural data.