Information card for entry 4002207

Structure parameters

• Formula: C28 H28 S2
• Calculated formula: C28 H28 S2
• SMILES: s1c2cc(c3ccccc3)ccc2c2sc3cc(ccc3c12)CCCCCCCC
• 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: 6.0861 ± 0.0002 Å
• b: 7.804 ± 0.0003 Å
• c: 49.128 ± 0.001 Å
• α: 90°
• β: 97.199 ± 0.001°
• γ: 90°
• Cell volume: 2314.99 ± 0.13 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2264
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 1.5528 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No