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Information card for entry 7226959
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| Coordinates | 7226959.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (E)–2,6–Diphenyl–4–(4–nitrostyryl)phenol |
|---|---|
| Formula | C26 H19 N O3 |
| Calculated formula | C26 H19 N O3 |
| SMILES | c1(ccc(cc1)N(=O)=O)/C=C/c1cc(c(c(c1)c1ccccc1)O)c1ccccc1 |
| Title of publication | Structure-behavior study of a family of "hybrid cyanine" dyes which exhibit inverted solvatochromism. |
| Authors of publication | Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 47 |
| Pages of publication | 32256 - 32265 |
| a | 11.8923 ± 0.0003 Å |
| b | 12.959 ± 0.0003 Å |
| c | 12.7118 ± 0.0003 Å |
| α | 90° |
| β | 97.638 ± 0.001° |
| γ | 90° |
| Cell volume | 1941.66 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0693 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1296 |
| Weighted residual factors for all reflections included in the refinement | 0.1442 |
| 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 |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226959.cif |
| 190285 | 2017-01-09 | cif/ Updating files of 7226957, 7226958, 7226959, 7226960, 7226961 Original log message: Adding full bibliography for 7226957--7226961.cif. |
7226959.cif |
| 187681 | 2016-10-29 | cif/ Adding structures of 7226957, 7226958, 7226959, 7226960, 7226961 via cif-deposit CGI script. |
7226959.cif |
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Users of the data should acknowledge the original authors of the
structural data.