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Information card for entry 1575502
Preview
| Coordinates | 1575502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene) |
|---|---|
| Formula | C26 H18 N4 O9 |
| Calculated formula | C26 H18 N4 O9 |
| a | 12.7859 ± 0.0015 Å |
| b | 7.2453 ± 0.0008 Å |
| c | 25.434 ± 0.003 Å |
| α | 90° |
| β | 98.451 ± 0.004° |
| γ | 90° |
| Cell volume | 2330.6 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0886 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1607 |
| Weighted residual factors for all reflections included in the refinement | 0.1747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| 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 |
|---|---|---|---|
| 301790 (current) | 2025-08-19 | cif/ Adding structures of 1575499, 1575500, 1575501, 1575502 via cif-deposit CGI script. |
1575502.cif |
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Users of the data should acknowledge the original authors of the
structural data.