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Information card for entry 7234037
Preview
| Coordinates | 7234037.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C61 H48 |
|---|---|
| Calculated formula | C61 H48 |
| Title of publication | Influence of cyano groups on the properties of piezofluorochromic aggregation-induced emission enhancement compounds derived from tetraphenylvinyl-capped ethane |
| Authors of publication | Qingyun Lu; Xiaofang Li; Jun Li; Zhiyong Yang; Bingjia Xu; Zhenguo Chi; Jiarui Xu; Yi Zhang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 1225 - 1234 |
| a | 9.6852 ± 0.0014 Å |
| b | 11.1199 ± 0.0016 Å |
| c | 21.963 ± 0.003 Å |
| α | 93.231 ± 0.002° |
| β | 95.749 ± 0.002° |
| γ | 112.722 ± 0.002° |
| Cell volume | 2159.2 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1237 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7234037.cif |
| 218692 | 2019-09-23 | cif/ Adding structures of 7234036, 7234037 via cif-deposit CGI script. |
7234037.cif |
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Users of the data should acknowledge the original authors of the
structural data.