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Information card for entry 7233519
Preview
| Coordinates | 7233519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H26 O5 S2 |
|---|---|
| Calculated formula | C40 H26 O5 S2 |
| SMILES | s1c2c(c(=O)oc(c2)c2c3ccccc3cc3ccccc23)c2c1cc(oc2=O)c1c2ccccc2cc2ccccc12.S(=O)(C)C |
| Title of publication | Structurally simple thienodipyrandione-containing reversible fluorescent switching piezo- and acido-chromic materials |
| Authors of publication | Rajeswara Rao M; Chia-Wei Liao; Shih-Sheng Sun |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 6386 - 6394 |
| a | 36.933 ± 0.005 Å |
| b | 13.519 ± 0.0017 Å |
| c | 11.839 ± 0.0013 Å |
| α | 90° |
| β | 94.1 ± 0.012° |
| γ | 90° |
| Cell volume | 5896.1 ± 1.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2354 |
| Residual factor for significantly intense reflections | 0.0962 |
| Weighted residual factors for significantly intense reflections | 0.1762 |
| Weighted residual factors for all reflections included in the refinement | 0.2348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217789 (current) | 2019-08-28 | cif/ Adding structures of 7233519 via cif-deposit CGI script. |
7233519.cif |
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Users of the data should acknowledge the original authors of the
structural data.