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Information card for entry 7058092
Preview
| Coordinates | 7058092.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H24 O |
|---|---|
| Calculated formula | C33 H24 O |
| Title of publication | Remarkable isomeric effects on the mechanofluorochromism of tetraphenylethylene-based D–π–A derivatives |
| Authors of publication | Jia, Junhui; Zhao, Haixia |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 5 |
| Pages of publication | 2231 |
| a | 8.9492 ± 0.0006 Å |
| b | 15.0001 ± 0.0008 Å |
| c | 18.6066 ± 0.001 Å |
| α | 90° |
| β | 94.265 ± 0.002° |
| γ | 90° |
| Cell volume | 2490.8 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 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 | 0.0852 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1663 |
| Weighted residual factors for all reflections included in the refinement | 0.1841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058092.cif |
| 224770 | 2019-11-08 | cif/ Updating files of 7058092 Original log message: Adding full bibliography for 7058092.cif. |
7058092.cif |
| 212983 | 2019-01-11 | cif/ Adding structures of 7058092 via cif-deposit CGI script. |
7058092.cif |
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Users of the data should acknowledge the original authors of the
structural data.