Information card for entry 7233953

Structure parameters

• Formula: C44 H46 N2 O4 S2
• Calculated formula: C44 H46 N2 O4 S2
• Title of publication: The impact of molecular planarity on electronic devices in thienoisoindigo-based organic semiconductors
• Authors of publication: Takefumi Odajima; Minoru Ashizawa; Yuichi Konosu; Hidetoshi Matsumoto; Takehiko Mori
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 10455 - 10467
• a: 5.1386 ± 0.0004 Å
• b: 11.8573 ± 0.0009 Å
• c: 16.4469 ± 0.0012 Å
• α: 105.425 ± 0.005°
• β: 90.708 ± 0.004°
• γ: 98.541 ± 0.004°
• Cell volume: 953.88 ± 0.13 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.4022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No