Information card for entry 7251779

Structure parameters

• Chemical name: 2,7-dioctylbiphenyleno[2,3-b:6,7-b']dithiophene
• Formula: C32 H40 S2
• Calculated formula: C32 H40 S2
• Title of publication: Synthesis of 2,7-dioctylbiphenylenodithiophenes for use as organic semiconducting materials in solution-processed organic thin-film transistors
• Authors of publication: Watanabe, Makoto; Miyashita, Masato; Fukuda, Takashi; Oku, Shinya
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 10.9056 ± 0.0004 Å
• b: 4.7333 ± 0.0002 Å
• c: 52.478 ± 0.002 Å
• α: 90°
• β: 93.015 ± 0.003°
• γ: 90°
• Cell volume: 2705.14 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No