Information card for entry 7106521

Structure parameters

• Formula: C26 H18 O2 S2
• Calculated formula: C26 H18 O2 S2
• Title of publication: Asymmetric pyrene derivatives for organic field-effect transistors
• Authors of publication: Lukas Zophel; Dirk Beckmann; Volker Enkelmann; Dennis Chercka; Ralph Rieger; Klaus Mullen
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6960
• a: 15.6328 ± 0.0004 Å
• b: 12.5156 ± 0.0003 Å
• c: 20.7675 ± 0.0006 Å
• α: 90°
• β: 95.9799 ± 0.0015°
• γ: 90°
• Cell volume: 4041.13 ± 0.18 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No