Information card for entry 7215643

Structure parameters

• 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 ų
• 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