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Information card for entry 1571776
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| Coordinates | 1571776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ET(1)*4C2H5OH*H2O |
|---|---|
| Chemical name | 4-(2,4,6-triphenylpyridinium-1-yl)-phenolate ethanol solvate |
| Formula | C37 H45 N O6 |
| Calculated formula | C37 H45 N O5.99997 |
| 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 | 23.645 ± 0.008 Å |
| b | 23.645 ± 0.008 Å |
| c | 30.91 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 14966 ± 12 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.3771 |
| Residual factor for significantly intense reflections | 0.1248 |
| Weighted residual factors for significantly intense reflections | 0.2723 |
| Weighted residual factors for all reflections included in the refinement | 0.4036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| 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. |
1571776.cif |
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Users of the data should acknowledge the original authors of the
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