Information card for entry 4000984

Structure parameters

• Common name: C14-BSBS
• Chemical name: C14-BSBS
• Formula: C42 H64 Se2
• Calculated formula: C42 H64 Se2
• SMILES: CCCCCCCCCCCCCCc1ccc2c(c1)[se]c1c2[se]c2c1ccc(c2)CCCCCCCCCCCCCC
• 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: 5.5648 ± 0.0006 Å
• b: 7.3316 ± 0.0008 Å
• c: 45.334 ± 0.004 Å
• α: 90°
• β: 93.289 ± 0.003°
• γ: 90°
• Cell volume: 1846.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No