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Information card for entry 1575499
Preview
| Coordinates | 1575499.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 | 8.7103 ± 0.0005 Å |
| b | 7.0222 ± 0.0004 Å |
| c | 38.587 ± 0.002 Å |
| α | 90° |
| β | 93.329 ± 0.002° |
| γ | 90° |
| Cell volume | 2356.2 ± 0.2 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
1575499.cif |
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Users of the data should acknowledge the original authors of the
structural data.