Information card for entry 7235153

Structure parameters

• Formula: C26 H32 S4
• Calculated formula: C26 H32 S4
• Title of publication: The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes
• Authors of publication: Benjamin P. Cherniawski; Steven A. Lopez; Edmund K. Burnett; Ilhan Yavuz; Lei Zhang; Sean R. Parkin; Kendall N. Houk; Alejandro L. Briseno
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 582 - 588
• a: 11.7048 ± 0.0002 Å
• b: 7.8063 ± 0.0002 Å
• c: 13.3837 ± 0.0003 Å
• α: 90°
• β: 98.5108 ± 0.0008°
• γ: 90°
• Cell volume: 1209.42 ± 0.05 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No