Information card for entry 4113073

Structure parameters

• Formula: C34 H24 F26 S4 Si2
• Calculated formula: C34 H24 F26 S4 Si2
• Title of publication: Building Blocks for N-Type Molecular and Polymeric Electronics. Perfluoroalkyl- versus Alkyl-Functionalized Oligothiophenes (nTs; n= 2-6). Systematic Synthesis, Spectroscopy, Electrochemistry, and Solid-State Organization
• Authors of publication: Antonio Facchetti; Myung-Han Yoon; Charlotte L. Stern; Geoffrey R. Hutchison; Mark A. Ratner; Tobin J. Marks
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13480 - 13501
• a: 35.876 ± 0.009 Å
• b: 6.019 ± 0.001 Å
• c: 20.131 ± 0.005 Å
• α: 90°
• β: 94.495 ± 0.004°
• γ: 90°
• Cell volume: 4333.7 ± 1.7 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections: 1.285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.86
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No