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Information card for entry 7236965
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| Coordinates | 7236965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,2'-(2,6-bis(1,2,2-triphenylvinyl)anthracene-9,10-diylidene)dimalononitrile |
|---|---|
| Formula | C60 H36 N4 |
| Calculated formula | C60 H36 N4 |
| Title of publication | Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection |
| Authors of publication | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 46 |
| Pages of publication | 12194 |
| a | 7.9503 ± 0.0004 Å |
| b | 16.0571 ± 0.0006 Å |
| c | 17.4515 ± 0.0007 Å |
| α | 80.314 ± 0.002° |
| β | 88.214 ± 0.002° |
| γ | 84.116 ± 0.002° |
| Cell volume | 2184.29 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0836 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236673 (current) | 2019-11-24 | cif/ Adding structures of 7236961, 7236962, 7236963, 7236964, 7236965, 7236966 via cif-deposit CGI script. |
7236965.cif |
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Users of the data should acknowledge the original authors of the
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