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Information card for entry 1571773
Preview
| Coordinates | 1571773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ET(1)*4CH3OH |
|---|---|
| Chemical name | 4-(2,4,6-triphenylpyridinium-1-yl)-phenolate tetramethanol solvate |
| Formula | C33 H37 N O5 |
| Calculated formula | C33 H37 N O5 |
| 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 | 10.4704 ± 0.0011 Å |
| b | 19.8 ± 0.03 Å |
| c | 13.3135 ± 0.0015 Å |
| α | 90° |
| β | 95.819 ± 0.009° |
| γ | 90° |
| Cell volume | 2746 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Ambient diffracton pressure | 570000 kPa |
| 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 | 0.1681 |
| Residual factor for significantly intense reflections | 0.0857 |
| Weighted residual factors for significantly intense reflections | 0.2285 |
| Weighted residual factors for all reflections included in the refinement | 0.2956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
1571773.cif |
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Users of the data should acknowledge the original authors of the
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