Information card for entry 7202074

Structure parameters

• Formula: C58 H46 Si
• Calculated formula: C58 H46 Si
• SMILES: c1(ccccc1)[Si]1(C(=C(C(=C1c1ccc2c3ccccc3C(c2c1)(C)C)c1ccccc1)c1ccccc1)c1ccc2c3ccccc3C(c2c1)(C)C)c1ccccc1
• Title of publication: Fluorenyl-substituted silole molecules: geometric, electronic, optical, and device properties
• Authors of publication: Zhan, Xiaowei; Haldi, Andreas; Risko, Chad; Chan, Calvin K.; Zhao, Wei; Timofeeva, Tatiana V.; Korlyukov, Aleksander; Antipin, Mikhail Yu.; Montgomery, Sarah; Thompson, Evans; An, Zesheng; Domercq, Benoit; Barlow, Stephen; Kahn, Antoine; Kippelen, Bernard; Brédas, Jean-Luc; Marder, Seth R.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 3157
• a: 17.034 ± 0.005 Å
• b: 10.422 ± 0.002 Å
• c: 24.427 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4336 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1929
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No