Information card for entry 7237748

Structure parameters

• Chemical name: 2-hexylthieno[5,4-b][1]benzothieno[3,2-b][1]benzothiophene (BTBTT6-syn)
• 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: 20.4984 ± 0.0012 Å
• b: 15.432 ± 0.001 Å
• c: 6.0388 ± 0.0004 Å
• α: 90°
• β: 96.341 ± 0.003°
• γ: 90°
• Cell volume: 1898.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 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: 0.1117
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2059
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No