Information card for entry 4111073

Structure parameters

• Formula: C24 H24 F6 S3 Sb
• Calculated formula: C24 H24 F6 S3 Sb
• Title of publication: Terthiophene Radical Cations End-Capped by Bicyclo[2.2.2]octene Units: Formation of Bent π-Dimers Mutually Attracted at the Central Position
• Authors of publication: Daisuke Yamazaki; Tohru Nishinaga; Nobuhide Tanino; Koichi Komatsu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 14470 - 14471
• a: 11.6808 ± 0.0017 Å
• b: 21.565 ± 0.003 Å
• c: 19.163 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4827.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No