Information card for entry 4000983

Structure parameters

• Common name: C12-BSBS
• Chemical name: C12-BSBS
• Formula: C38 H56 Se2
• Calculated formula: C38 H56 Se2
• SMILES: CCCCCCCCCCCCc1ccc2c(c1)[se]c1c2[se]c2c1ccc(c2)CCCCCCCCCCCC
• Title of publication: Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics
• Authors of publication: Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 903
• a: 74.517 ± 0.012 Å
• b: 4.4014 ± 0.0007 Å
• c: 10.6926 ± 0.0019 Å
• α: 90 ± 0.002°
• β: 94.5 ± 0.003°
• γ: 90 ± 0.002°
• Cell volume: 3496.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0916
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No