Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7236962
Preview
| Coordinates | 7236962.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,6-bis(1,2,2-triphenylvinyl)anthracene-9,10-dione |
|---|---|
| Formula | C58 H44 O3 |
| Calculated formula | C58 H44 O3 |
| 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 | 22.5855 ± 0.0014 Å |
| b | 15.8549 ± 0.001 Å |
| c | 11.8676 ± 0.0007 Å |
| α | 90° |
| β | 92.183 ± 0.002° |
| γ | 90° |
| Cell volume | 4246.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1281 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7236962.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.