Information card for entry 7233521

Structure parameters

• Formula: C42 H52 S Si2
• Calculated formula: C42 H52 S Si2
• Title of publication: Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties
• Authors of publication: Weifeng Zhang; Ji Zhang; Xiangyang Chen; Zupan Mao; Xiaodong Xie; Liping Wang; Yi Liao; Gui Yu; Yunqi Liu; Daoben Zhu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2012
• Journal volume: 1
• Pages of publication: 6403 - 6410
• a: 12.241 ± 0.002 Å
• b: 15.168 ± 0.003 Å
• c: 20.461 ± 0.004 Å
• α: 90°
• β: 93.26 ± 0.003°
• γ: 90°
• Cell volume: 3792.9 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No