Information card for entry 7202726

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: c1(ccc(c2ccc(cc2)CC)s1)c1sc(c2ccc(cc2)CC)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: 9.242 ± 0.004 Å
• b: 5.718 ± 0.0011 Å
• c: 18.205 ± 0.006 Å
• α: 90°
• β: 100.06 ± 0.03°
• γ: 90°
• Cell volume: 947.3 ± 0.6 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.1888
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections: 0.1943
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9467
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No