Information card for entry 1532460

Structure parameters

• Formula: C24 H24 S3
• Calculated formula: C24 H24 S3
• SMILES: s1ccc2c1c1sc3c4sccc4c(cc3c1cc2CCCC)CCCC
• Title of publication: Synthesis and Properties of Ethene-Bridged Terthiophenes.
• Authors of publication: Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 4858 - 4861
• a: 11.959 ± 0.011 Å
• b: 22.114 ± 0.019 Å
• c: 7.632 ± 0.006 Å
• α: 90°
• β: 97.436 ± 0.014°
• γ: 90°
• Cell volume: 2001 ± 3 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0687
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No