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Information card for entry 7233502
Preview
| Coordinates | 7233502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H22 Si |
|---|---|
| Calculated formula | C28 H22 Si |
| SMILES | [Si]1(C=C(C(=C1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | How do substituents affect silole emission? |
| Authors of publication | Engui Zhao; Jacky W. Y. Lam; Yuning Hong; Jianzhao Liu; Qian Peng; Jianhua Hao; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 5661 - 5668 |
| a | 9.2956 ± 0.0001 Å |
| b | 16.8937 ± 0.0005 Å |
| c | 14.1056 ± 0.0003 Å |
| α | 90° |
| β | 108.13 ± 0.002° |
| γ | 90° |
| Cell volume | 2105.13 ± 0.08 Å3 |
| Cell temperature | 173 ± 0.14 K |
| Ambient diffraction temperature | 173 ± 0.14 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 | 0.0344 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7233502.cif |
| 217772 | 2019-08-28 | cif/ Adding structures of 7233502 via cif-deposit CGI script. |
7233502.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.