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Information card for entry 7063913
Preview
| Coordinates | 7063913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (Z)-2-((6-methoxy-2-phenyl-2H-chromen-3-yl)methylene)-N-phenylhydrazine-1-carbothioamide |
|---|---|
| Formula | C48 H42 N6 O4 S2 |
| Calculated formula | C48 H42 N6 O4 S2 |
| Title of publication | A novel benzopyran-based fluorescent sensor for selective detection of Hg2+ ions. |
| Authors of publication | Sa, Min; Wang, Jin; Li, Jiajia; Li, Xiaojuan |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 6.6713 ± 0.0002 Å |
| b | 11.1427 ± 0.0003 Å |
| c | 14.3771 ± 0.0003 Å |
| α | 98.336 ± 0.001° |
| β | 100.639 ± 0.001° |
| γ | 94.362 ± 0.001° |
| Cell volume | 1033.45 ± 0.05 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301352 (current) | 2025-07-24 | cif/ Adding structures of 7063913 via cif-deposit CGI script. |
7063913.cif |
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Users of the data should acknowledge the original authors of the
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