Information card for entry 4001220

Structure parameters

• Formula: C32 H38 S Si2
• Calculated formula: C31 S1.26 Si2
• SMILES: CC[Si](C#Cc1c2ccccc2c(c2c1cc1sccc1c2)C#C[Si](CC)(CC)CC)(CC)CC
• Title of publication: Trialkylsilylethynyl-Functionalized Tetraceno[2,3-b]thiophene and Anthra[2,3-b]thiophene Organic Transistors
• Authors of publication: Tang, Ming L.; Reichardt, Anna D.; Siegrist, Theo; Mannsfeld, Stefan C. B.; Bao, Zhenan
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 14
• Pages of publication: 4669
• a: 11.0096 ± 0.0008 Å
• b: 11.3272 ± 0.0008 Å
• c: 11.9921 ± 0.0012 Å
• α: 90°
• β: 91.079 ± 0.007°
• γ: 90°
• Cell volume: 1495.2 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2832
• Residual factor for significantly intense reflections: 0.156
• Weighted residual factors for all reflections: 0.3313
• Weighted residual factors for significantly intense reflections: 0.2539
• Weighted residual factors for all reflections included in the refinement: 0.3313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No