Information card for entry 1501773

Structure parameters

• Formula: C22 H12 S4
• Calculated formula: C22 H12 S4
• SMILES: c1ccc2c(c1)c1sc(cc1s2)/C=C/c1cc2c(s1)c1c(s2)cccc1
• Title of publication: Synthesis and Characterization of Novel Semiconductors Based on Thieno[3,2-b][1]benzothiophene Cores and Their Applications in the Organic Thin-Film Transistors
• Authors of publication: Chen, Huajie; Cui, Qingyu; Yu, Gui; Guo, Yunlong; Huang, Jianyao; Zhu, Minliang; Guo, Xiaojun; Liu, Yunqi
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2011
• Journal volume: 115
• Journal issue: 48
• Pages of publication: 23984
• a: 38.113 ± 0.008 Å
• b: 5.8256 ± 0.0012 Å
• c: 7.8705 ± 0.0016 Å
• α: 90°
• β: 93.77 ± 0.03°
• γ: 90°
• Cell volume: 1743.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0676
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No