Information card for entry 4000982

Structure parameters

• Common name: C10-BSBS
• Chemical name: C10-BSBS
• Formula: C34 H48 Se2
• Calculated formula: C34 H48 Se2
• SMILES: CCCCCCCCCCc1ccc2c(c1)[se]c1c2[se]c2c1ccc(c2)CCCCCCCCCC
• 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: 5.6136 ± 0.0011 Å
• b: 7.2956 ± 0.0017 Å
• c: 36.003 ± 0.01 Å
• α: 90°
• β: 92.881 ± 0.01°
• γ: 90°
• Cell volume: 1472.6 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No