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Information card for entry 7237830
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| Coordinates | 7237830.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | TPEThIC |
|---|---|
| Formula | C44 H28 Cl2 N2 O S |
| Calculated formula | C44 H28 Cl2 N2 O S |
| 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 | 12.1544 ± 0.0004 Å |
| b | 8.7132 ± 0.0003 Å |
| c | 33.3446 ± 0.0011 Å |
| α | 90° |
| β | 92.61 ± 0.002° |
| γ | 90° |
| Cell volume | 3527.7 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0645 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1564 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7237830.cif |
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Users of the data should acknowledge the original authors of the
structural data.