Information card for entry 4116131

Structure parameters

• Chemical name: 3',4'-Bis(n-hexyl)-2,2':5',2''-terthiophene 1',1'-dioxide
• Formula: C24 H32 O2 S3
• Calculated formula: C24 H32 O2 S3
• Title of publication: Molecular Packing and Photoluminescence Efficiency in Odd-Membered Oligothiophene S,S-Dioxides
• Authors of publication: Luciano Antolini; Emilio Tedesco; Giovanna Barbarella; Laura Favaretto; Giovanna Sotgiu; Massimo Zambianchi; Daniele Casarini; Giuseppe Gigli; Roberto Cingolani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 9006 - 9013
• a: 9.552 ± 0.002 Å
• b: 14.509 ± 0.003 Å
• c: 17.781 ± 0.002 Å
• α: 90 ± 0.014°
• β: 90 ± 0.014°
• γ: 90 ± 0.02°
• Cell volume: 2464.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections: 0.1856
• Weighted residual factors for significantly intense reflections: 0.1591
• Goodness-of-fit parameter for all reflections: 0.991
• Goodness-of-fit parameter for significantly intense reflections: 1.184
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No