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Information card for entry 1575500
Preview
| Coordinates | 1575500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene) |
|---|---|
| Formula | C46 H33 N5 O12 |
| Calculated formula | C46 H33 N5 O12 |
| a | 10.0194 ± 0.0006 Å |
| b | 10.189 ± 0.0007 Å |
| c | 10.6551 ± 0.0007 Å |
| α | 98.069 ± 0.003° |
| β | 92.813 ± 0.003° |
| γ | 108.239 ± 0.003° |
| Cell volume | 1017.86 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1315 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1575500.cif |
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Users of the data should acknowledge the original authors of the
structural data.