Information card for entry 4003018

Structure parameters

• Common name: Organic compound
• Formula: C28 H6 F10 O2 S2
• Calculated formula: C28 H6 F10 O2 S2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)C(=O)c1cc2c(cc1)c1sc3cc(ccc3c1s2)C(=O)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: High Electron Mobility in [1]Benzothieno[3,2-b][1]benzothiophene-Based Field-Effect Transistors: Toward n-Type BTBTs
• Authors of publication: Usta, Hakan; Kim, Dojeon; Ozdemir, Resul; Zorlu, Yunus; Kim, Sanghyo; Ruiz Delgado, M. Carmen; Harbuzaru, Alexandra; Kim, Seonhyoung; Demirel, Gökhan; Hong, Jongin; Ha, Young-Geun; Cho, Kilwon; Facchetti, Antonio; Kim, Myung-Gil
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5254
• a: 43.611 ± 0.003 Å
• b: 7.3973 ± 0.0005 Å
• c: 7.1455 ± 0.0005 Å
• α: 90°
• β: 96.283 ± 0.004°
• γ: 90°
• Cell volume: 2291.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No