Information card for entry 4001144

Structure parameters

• Formula: C24 H14 S2
• Calculated formula: C24 H14 S2
• SMILES: s1c(c2c3ccc4c5c3c(cc2)ccc5ccc4c2sccc2)ccc1
• Title of publication: Effect of Molecular Packing on Field-Effect Performance of Single Crystals of Thienyl-Substituted Pyrenes
• Authors of publication: Ashizawa, Minoru; Yamada, Koichi; Fukaya, Atsuko; Kato, Reizo; Hara, Kouji; Takeya, Jun
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 4883
• a: 11.971 ± 0.004 Å
• b: 3.944 ± 0.001 Å
• c: 35.7 ± 0.01 Å
• α: 90°
• β: 90.454 ± 0.003°
• γ: 90°
• Cell volume: 1685.5 ± 0.9 ų
• Cell temperature: 293.1 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 significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.2644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No