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Information card for entry 7234903
Preview
| Coordinates | 7234903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H28 N2 O4 |
|---|---|
| Calculated formula | C28 H28 N2 O4 |
| SMILES | O=C(OCC)C1=C(CN(C(N1c1ccccc1)c1ccccc1)c1ccccc1)C(=O)OCC |
| Title of publication | Reversible thermo-stimulus solid-state fluorescence-colour/on-off switching and uses as sensitive fluorescent thermometers in different temperature ranges |
| Authors of publication | Qiuhua Zhu; Weijie Yang; Sichao Zheng; Herman H. Y. Sung; Ian D. Williams; Shuwen Liu; Ben Zhong Tang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 7383 - 7386 |
| a | 9.6401 ± 0.0003 Å |
| b | 26.2037 ± 0.0008 Å |
| c | 9.8735 ± 0.0004 Å |
| α | 90° |
| β | 109.829 ± 0.004° |
| γ | 90° |
| Cell volume | 2346.23 ± 0.15 Å3 |
| Cell temperature | 97.2 ± 0.6 K |
| Ambient diffraction temperature | 97.2 ± 0.6 K |
| 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 | 0.0501 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234903.cif |
| 222509 | 2019-11-04 | cif/ Adding structures of 7234903, 7234904, 7234905 via cif-deposit CGI script. |
7234903.cif |
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Users of the data should acknowledge the original authors of the
structural data.