Information card for entry 4116547

Structure parameters

• Chemical name: 4',3'',4''',3''''-tetramethyl-2,2':5,2'':5'',2''':5''',2'''':5'''',2'''''.- sexithiophene (triclinic form) ?
• Formula: C28 H22 S6
• Calculated formula: C28 H22 S6
• Title of publication: Solid-State Conformation, Molecular Packing, and Electrical and Optical Properties of Processable β-Methylated Sexithiophenes
• Authors of publication: Giovanna Barbarella; Massimo Zambianchi; Luciano Antolini; Paolo Ostoja; Piera Maccagnani; Alessandro Bongini; Elisabeth A. Marseglia; Emilio Tedesco; Giuseppe Gigli; Roberto Cingolani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 8920 - 8926
• a: 7.595 ± 0.002 Å
• b: 7.68 ± 0.002 Å
• c: 11.438 ± 0.003 Å
• α: 99.47 ± 0.02°
• β: 91.62 ± 0.02°
• γ: 107.08 ± 0.02°
• Cell volume: 627 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.1165
• Weighted residual factors for significantly intense reflections: 0.0957
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No