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Information card for entry 7215643
Preview
| Coordinates | 7215643.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H32 N4 Si |
|---|---|
| Calculated formula | C40 H32 N4 Si |
| SMILES | C1(=C(c2ccccc2)C(=C([Si]21CCCC2)c1nc(ccc1)c1ncccc1)c1ccccc1)c1nc(ccc1)c1ncccc1 |
| Title of publication | Intermolecular peripheral 2,5-bipyridyl interactions by cyclization of 1,1′-silanylene unit of 2,3,4,5-aryl substituted siloles: enhanced thermal stability, high charge carrier mobility, and their application to electron transporting layers for OLEDs |
| Authors of publication | Son, Ho-Jin; Han, Won-Sik; Wee, Kyung Ryang; Lee, Su-Hyun; Hwang, Ah-Reum; Kwon, Soonnam; Cho, Dae Won; Suh, Il-Hwan; Kang, Sang Ook |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2009 |
| Journal volume | 19 |
| Journal issue | 47 |
| Pages of publication | 8964 |
| a | 23.862 ± 0.005 Å |
| b | 12.213 ± 0.003 Å |
| c | 10.898 ± 0.002 Å |
| α | 90° |
| β | 96.596 ± 0.005° |
| γ | 90° |
| Cell volume | 3154.9 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1107 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1217 |
| Weighted residual factors for all reflections included in the refinement | 0.1536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| 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. |
7215643.cif |
| 180487 | 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 7/21/56. |
7215643.cif |
| 112649 | 2014-05-03 | cif/ Adding structures of 7215643, 7215644, 7215645 via cif-deposit CGI script. |
7215643.cif |
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Users of the data should acknowledge the original authors of the
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