Information card for entry 7202729

Structure parameters

• Common name: 5,5'-bis(4-ethylphenyl)-2,2'-bithiophene
• Chemical name: 5,5'-bis(4-ethylphenyl)-2,2'-bithiophene
• Formula: C24 H22 S2
• Calculated formula: C24 H22 S2
• SMILES: c1cc(CC)ccc1c1sc(c2ccc(c3ccc(cc3)CC)s2)cc1
• Title of publication: Molecular ordering in bis(phenylenyl)bithiophenes
• Authors of publication: Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 32
• Pages of publication: 3427
• a: 9.109 ± 0.002 Å
• b: 5.7272 ± 0.0007 Å
• c: 18.159 ± 0.004 Å
• α: 90°
• β: 101.54 ± 0.02°
• γ: 90°
• Cell volume: 928.2 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.171
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections: 0.342
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No