Information card for entry 4002205

Structure parameters

• Formula: C23 H18 S2
• Calculated formula: C23 H18 S2
• SMILES: s1c2c3ccc(cc3sc2c2ccc(cc12)c1ccccc1)CCC
• Title of publication: Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals
• Authors of publication: Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 3809
• a: 5.9541 ± 0.0001 Å
• b: 38.9909 ± 0.0001 Å
• c: 15.7295 ± 0.0007 Å
• α: 90°
• β: 90.0471 ± 0.0007°
• γ: 90°
• Cell volume: 3651.69 ± 0.17 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• 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: 0.1119
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2305
• Weighted residual factors for all reflections included in the refinement: 0.2508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No