Information card for entry 4001217

Structure parameters

• Formula: C36 H40 S Si2
• Calculated formula: C36 H40 S Si2
• SMILES: CC[Si](C#Cc1c2cc3sccc3cc2c(c2c1cc1ccccc1c2)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: 6.2831 ± 0.0002 Å
• b: 17.9804 ± 0.0004 Å
• c: 13.9958 ± 0.0004 Å
• α: 90°
• β: 90.225 ± 0.003°
• γ: 90°
• Cell volume: 1581.13 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No