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Information card for entry 1571462
Preview
| Coordinates | 1571462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H19 Br N2 |
|---|---|
| Calculated formula | C23 H19 Br N2 |
| Title of publication | Detection of TNP and Sulfite Ion in Aqueous Medium by Pyrazinium-based Chemosensor |
| Authors of publication | Pragya, Pragya; Rangan, Krishnan; Khungar, Bharti |
| Journal of publication | Sensors & Diagnostics |
| Year of publication | 2024 |
| a | 23.0173 ± 0.0003 Å |
| b | 10.1152 ± 0.0001 Å |
| c | 26.443 ± 0.0003 Å |
| α | 90° |
| β | 113.484 ± 0.001° |
| γ | 90° |
| Cell volume | 5646.64 ± 0.12 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 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 | 0.0383 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291286 (current) | 2024-04-19 | cif/ Adding structures of 1571462, 1571463 via cif-deposit CGI script. |
1571462.cif |
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Users of the data should acknowledge the original authors of the
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