Information card for entry 4001536

Structure parameters

• Formula: C34 H54 S2
• Calculated formula: C34 H54 S2
• SMILES: CCCCCCCCCCCCc1c2sccc2c(c2c1ccs2)CCCCCCCCCCCC
• Title of publication: Synthesis and Thin-Film Transistor Performance of Poly(4,8-didodecylbenzo[1,2-b:4,5-b‘]dithiophene)
• Authors of publication: Pan, Hualong; Li, Yuning; Wu, Yiliang; Liu, Ping; Ong, Beng S.; Zhu, Shiping; Xu, Gu
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 3237
• a: 21.408 ± 0.0005 Å
• b: 4.8379 ± 0.0001 Å
• c: 17.0953 ± 0.0004 Å
• α: 90°
• β: 110.196 ± 0.001°
• γ: 90°
• Cell volume: 1661.7 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No