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Information card for entry 7237884
Preview
| Coordinates | 7237884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H48 N4 O8 S2 |
|---|---|
| Calculated formula | C46 H48 N4 O8 S2 |
| Title of publication | Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes |
| Authors of publication | Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 29 |
| Pages of publication | 8847 |
| a | 16.5791 ± 0.0007 Å |
| b | 7.7313 ± 0.0003 Å |
| c | 17.2465 ± 0.0008 Å |
| α | 90° |
| β | 99.073 ± 0.004° |
| γ | 90° |
| Cell volume | 2182.96 ± 0.16 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| 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 | 0.0588 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238701 (current) | 2019-11-24 | cif/ Adding structures of 7237884 via cif-deposit CGI script. |
7237884.cif |
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Users of the data should acknowledge the original authors of the
structural data.