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Information card for entry 7238002
Preview
| Coordinates | 7238002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 O2 |
|---|---|
| Calculated formula | C27 H20 O2 |
| Title of publication | The influence of intermolecular interactions and molecular packings on mechanochromism and mechanoluminescence ‒ a tetraphenylethylene derivative case |
| Authors of publication | Huang, Guangxi; Jiang, Yuqing; Wang, Jianguo; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 40 |
| Pages of publication | 12709 |
| a | 19.8069 ± 0.001 Å |
| b | 5.4313 ± 0.0003 Å |
| c | 19.6647 ± 0.0009 Å |
| α | 90° |
| β | 102.555 ± 0.004° |
| γ | 90° |
| Cell volume | 2064.89 ± 0.18 Å3 |
| Cell temperature | 169.99 ± 0.1 K |
| Ambient diffraction temperature | 169.99 ± 0.1 K |
| Number of distinct elements | 3 |
| 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 | 0.108 |
| Residual factor for significantly intense reflections | 0.0762 |
| Weighted residual factors for significantly intense reflections | 0.2167 |
| Weighted residual factors for all reflections included in the refinement | 0.2471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238826 (current) | 2019-11-24 | cif/ Adding structures of 7238001, 7238002, 7238003 via cif-deposit CGI script. |
7238002.cif |
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Users of the data should acknowledge the original authors of the
structural data.