Information card for entry 7233590

Structure parameters

• Common name: 5,5Bis(5ndodecylpyridin-2-yl)2,2-bithiophene
• Formula: C42 H60 N2 S2
• Calculated formula: C42 H60 N2 S2
• Title of publication: 5,5'-Bis-(alkylpyridinyl)-2,2'-bithiophenes: synthesis, liquid crystalline behaviour and charge transport
• Authors of publication: Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 256 - 271
• a: 5.661 ± 0.006 Å
• b: 11.898 ± 0.012 Å
• c: 28.47 ± 0.03 Å
• α: 98.44 ± 0.015°
• β: 91.421 ± 0.016°
• γ: 103.379 ± 0.015°
• Cell volume: 1842 ± 3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2106
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No