Information card for entry 4001216

Structure parameters

• Chemical name: 5,12-bis(triisopropylsilylethynyl)tetraceno[2,3-b]thiophene
• Formula: C42 H52 S Si2
• Calculated formula: C42.1108 H47.1808 S1.112 Si2
• SMILES: CC([Si](C(C)C)(C(C)C)C#Cc1c2cc3sccc3cc2c(c2c1cc1ccccc1c2)C#C[Si](C(C)C)(C(C)C)C(C)C)C
• 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: 7.6335 ± 0.0007 Å
• b: 7.655 ± 0.0008 Å
• c: 16.8281 ± 0.0008 Å
• α: 75.65 ± 0.009°
• β: 86.542 ± 0.013°
• γ: 81.391 ± 0.008°
• Cell volume: 941.65 ± 0.14 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for all reflections: 0.2233
• Weighted residual factors for significantly intense reflections: 0.2233
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No