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Information card for entry 7215091
Preview
| Coordinates | 7215091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H28 Br2 O Si |
|---|---|
| Calculated formula | C31 H28 Br2 O Si |
| SMILES | Brc1ccc(cc1)C1=C(c2ccccc2)C(=C([Si]1(C)C)c1ccc(Br)cc1)c1ccccc1.OC |
| Title of publication | Naphthalene-substituted 2,3,4,5-tetraphenylsiloles: synthesis, structure, aggregation-induced emission and efficient electroluminescence |
| Authors of publication | Jiang, Tao; Jiang, Yibing; Qin, Wei; Chen, Shuming; Lu, Yahong; Lam, Jacky W. Y.; He, Bairong; Lu, Ping; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Hoi Sing; Zhao, Zujin; Qiu, Huayu; Tang, Ben Zhong |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 38 |
| Pages of publication | 20266 |
| a | 20.6335 ± 0.0019 Å |
| b | 14.6119 ± 0.0013 Å |
| c | 9.6084 ± 0.0009 Å |
| α | 90° |
| β | 103.327 ± 0.002° |
| γ | 90° |
| Cell volume | 2818.9 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0987 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1464 |
| Weighted residual factors for all reflections included in the refinement | 0.1756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215091.cif |
| 180481 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/50. |
7215091.cif |
| 111072 | 2014-04-20 | cif/ Adding structures of 7215089, 7215090, 7215091 via cif-deposit CGI script. |
7215091.cif |
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Users of the data should acknowledge the original authors of the
structural data.