Information card for entry 2007169

Structure parameters

• Chemical name: 3',4"-Didecyl-2,2';5',2";5",2"'-quaterthiophene
• Formula: C36 H50 S4
• Calculated formula: C36 H50 S4
• SMILES: CCCCCCCCCCc1cc(sc1c1cccs1)c1cc(c(s1)c1cccs1)CCCCCCCCCC
• Title of publication: 3',4''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene
• Authors of publication: Wang, Shanger; Brisse, François; Bélanger-Gariépy, Francine; Donat-Bouillud, Anne; Leclerc, Mario
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 553 - 555
• a: 36.149 ± 0.011 Å
• b: 5.471 ± 0.001 Å
• c: 18.673 ± 0.007 Å
• α: 90°
• β: 109.47 ± 0.03°
• γ: 90°
• Cell volume: 3481.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections: 0.963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No