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Information card for entry 7063860
Preview
| Coordinates | 7063860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 I N O3 S |
|---|---|
| Calculated formula | C20 H22 I N O3 S |
| Title of publication | A “turn-off” ICT-based optical probe for the selective detection of cyanide ions in real samples |
| Authors of publication | Uota, Sisay; Gross, Daniella; Hwang, Bor-Jang; Butcher, Raymond; Hijji, Yousef; Wachira, James; Tadesse, Solomon; Edwards, Jesse; Edwards, Kyle; Abebe, Fasil |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 7.7077 ± 0.0001 Å |
| b | 10.5183 ± 0.0001 Å |
| c | 12.6883 ± 0.0001 Å |
| α | 97.407 ± 0.001° |
| β | 91.858 ± 0.001° |
| γ | 93.375 ± 0.001° |
| Cell volume | 1017.48 ± 0.018 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0256 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0685 |
| Weighted residual factors for all reflections included in the refinement | 0.069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300199 (current) | 2025-06-26 | cif/ Adding structures of 7063860 via cif-deposit CGI script. |
7063860.cif |
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Users of the data should acknowledge the original authors of the
structural data.