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Information card for entry 7237828
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| Coordinates | 7237828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | TPEPhIC |
|---|---|
| Formula | C45 H28 N2 O |
| Calculated formula | C45 H28 N2 O |
| Title of publication | Donor‒acceptor type aggregation-induced emission luminophores based on the 1,1-dicyanomethylene-3-indanone unit for bridge-dependent reversible mechanochromism and light-up biosensing of hypochlorites |
| Authors of publication | Yu, Hai-Xia; Zhi, Junge; Shen, Tianjiao; Ding, Weilu; Zhang, Xiaoling; Wang, Jin-Liang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 29 |
| Pages of publication | 8888 |
| a | 10.4273 ± 0.001 Å |
| b | 10.629 ± 0.001 Å |
| c | 15.8336 ± 0.0015 Å |
| α | 90.857 ± 0.003° |
| β | 94.538 ± 0.003° |
| γ | 100.5 ± 0.003° |
| Cell volume | 1719.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1084 |
| Residual factor for significantly intense reflections | 0.0871 |
| Weighted residual factors for significantly intense reflections | 0.2624 |
| Weighted residual factors for all reflections included in the refinement | 0.2807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238647 (current) | 2019-11-24 | cif/ Adding structures of 7237828, 7237829, 7237830 via cif-deposit CGI script. |
7237828.cif |
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Users of the data should acknowledge the original authors of the
structural data.