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Information card for entry 1571772
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| Coordinates | 1571772.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | ET(1)*6H2O |
|---|---|
| Chemical name | 4-(2,4,6-triphenylpyridinium-1-yl)-phenolate hexahydrate |
| Formula | C29 H21 N O7 |
| Calculated formula | C29 H21 N O7 |
| Title of publication | Structural insight into piezo-solvatochromism of Reichardt's dye. |
| Authors of publication | Sobczak, Szymon; Katrusiak, Andrzej |
| Journal of publication | IUCrJ |
| Year of publication | 2024 |
| Journal volume | 11 |
| Journal issue | 4 |
| a | 15.311 ± 0.004 Å |
| b | 23.948 ± 0.006 Å |
| c | 7.27 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2666 ± 7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.2641 |
| Residual factor for significantly intense reflections | 0.1369 |
| Weighted residual factors for significantly intense reflections | 0.3215 |
| Weighted residual factors for all reflections included in the refinement | 0.3781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.276 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292200 (current) | 2024-06-05 | cif/ Adding structures of 1571772, 1571773, 1571774, 1571775, 1571776 via cif-deposit CGI script. |
1571772.cif |
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Users of the data should acknowledge the original authors of the
structural data.