Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1571774
Preview
| Coordinates | 1571774.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 | 10.425 ± 0.003 Å |
| b | 19.26 ± 0.07 Å |
| c | 13.112 ± 0.004 Å |
| α | 90° |
| β | 95.7 ± 0.03° |
| γ | 90° |
| Cell volume | 2620 ± 10 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Ambient diffracton pressure | 1170000 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 | 0.2272 |
| Residual factor for significantly intense reflections | 0.0795 |
| Weighted residual factors for significantly intense reflections | 0.1889 |
| Weighted residual factors for all reflections included in the refinement | 0.2803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| 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. |
1571774.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.