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Information card for entry 7160587
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| Coordinates | 7160587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | P-CHO |
|---|---|
| Formula | C16 H13 N O S |
| Calculated formula | C16 H13 N O S |
| Title of publication | Dual Recognition Site-Based Ratiometric Fluorescent Probe with Reversible Mechanochromism and Acetochromism for Ultra-Sensitive Hypochlorite Detection |
| Authors of publication | Subramanian, Karpagam; Vinayagam, Dhandapani |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 25.097 ± 0.003 Å |
| b | 12.5844 ± 0.0016 Å |
| c | 8.455 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2670.3 ± 0.6 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1169 |
| Residual factor for significantly intense reflections | 0.091 |
| Weighted residual factors for significantly intense reflections | 0.2092 |
| Weighted residual factors for all reflections included in the refinement | 0.2278 |
| 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 |
|---|---|---|---|
| 300044 (current) | 2025-06-11 | cif/ Adding structures of 7160587 via cif-deposit CGI script. |
7160587.cif |
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