Information card for entry 4108960

Structure parameters

• Chemical name: E,E-2,7-bis((2-phenyl)-ethenyl)-Benzo[2,1-b:3,4-b']dithiophene
• Formula: C26 H18 S2
• Calculated formula: C26 H18 S2
• SMILES: c12c(cc(/C=C/c3ccccc3)s1)ccc1c2sc(c1)/C=C/c1ccccc1
• Title of publication: A "Kite" Shaped Styryl End-Capped Benzo[2,1-b:3,4-b']dithiophene with High Electrical Performances in Organic Thin Film Transistors
• Authors of publication: Yahia Didane; Georg H. Mehl; Atsufumi Kumagai; Noriyuki Yoshimoto; Christine Videlot-Ackermann; Hugues Brisset
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17681 - 17683
• a: 6.9339 ± 0.0003 Å
• b: 39.6898 ± 0.0005 Å
• c: 7.2585 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1997.58 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No