Information card for entry 4003158

Structure parameters

• Formula: C38 H20 S4
• Calculated formula: C38 H20 S4
• SMILES: c1ccccc1c1ccc2c3sc4cc5cc6c7sc8c(ccc(c9ccccc9)c8)c7sc6cc5cc4c3sc2c1
• Title of publication: Thermally, Operationally, and Environmentally Stable Organic Thin-Film Transistors Based on Bis[1]benzothieno[2,3-d:2′,3′-d′]naphtho[2,3-b:6,7-b′]dithiophene Derivatives: Effective Synthesis, Electronic Structures, and Structure–Property Relationship
• Authors of publication: Abe, Masahiro; Mori, Takamichi; Osaka, Itaru; Sugimoto, Kunihisa; Takimiya, Kazuo
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 5049
• a: 6.128 ± 0.0015 Å
• b: 7.5805 ± 0.0019 Å
• c: 28.009 ± 0.007 Å
• α: 90°
• β: 94.509 ± 0.007°
• γ: 90°
• Cell volume: 1297.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1377
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.6997 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No