Information card for entry 7237749

Structure parameters

• Chemical name: 2-hexylthieno[4,5-b][1]benzothieno[3,2-b][1]benzothiophene
• Formula: C22 H20 S3
• Calculated formula: C22 H20 S3
• Title of publication: Five-ring-fused asymmetric thienoacenes for high mobility organic thin-film transistors: the influence of the position of the S atom in the terminal thiophene ring
• Authors of publication: He, Keqiang; Zhou, Shujun; Li, Weili; Tian, Hongkun; Tang, Qingxin; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 3656
• a: 9.7443 ± 0.0006 Å
• b: 9.8799 ± 0.0006 Å
• c: 40.142 ± 0.003 Å
• α: 91.556 ± 0.004°
• β: 92.432 ± 0.003°
• γ: 106.043 ± 0.003°
• Cell volume: 3707.7 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.1479
• Residual factor for significantly intense reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.3622
• Weighted residual factors for all reflections included in the refinement: 0.3867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No