Information card for entry 4001142

Structure parameters

• Formula: C22 H22 S4
• Calculated formula: C32 H18 S4
• SMILES: c1csc(c1)c1cc(c2cccs2)c2c3c1ccc1c3c(cc2)c(cc1c1cccs1)c1cccs1
• 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: 3.948 ± 0.002 Å
• b: 11.007 ± 0.006 Å
• c: 27.36 ± 0.01 Å
• α: 90°
• β: 90.278 ± 0.009°
• γ: 90°
• Cell volume: 1188.9 ± 1 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: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.3397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No