Information card for entry 4514228

Structure parameters

• Formula: C20 H14 S3
• Calculated formula: C20 H14 S3
• SMILES: CCc1ccc(c2ccc3c(c2)sc2c3sc3c2cccc3)s1
• Title of publication: Asymmetric Conjugated Molecules Based on [1]Benzothieno[3,2-b][1]benzothiophene for High-Mobility Organic Thin-Film Transistors: Influence of Alkyl Chain Length.
• Authors of publication: He, Keqiang; Li, Weili; Tian, Hongkun; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 40
• Pages of publication: 35427 - 35436
• a: 6.0134 ± 0.0004 Å
• b: 7.8064 ± 0.0004 Å
• c: 35.177 ± 0.003 Å
• α: 92.753 ± 0.004°
• β: 93.386 ± 0.006°
• γ: 90.013 ± 0.006°
• Cell volume: 1646.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2364
• Residual factor for significantly intense reflections: 0.1464
• Weighted residual factors for significantly intense reflections: 0.3724
• Weighted residual factors for all reflections included in the refinement: 0.4498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No