Information card for entry 2210559

Structure parameters

• Chemical name: 1,3,5-Tris(2-acetylthienyl)benzene
• Formula: C24 H18 O3 S3
• Calculated formula: C24 H18 O3 S3
• SMILES: O=C(c1sc(c2cc(cc(c2)c2sc(cc2)C(=O)C)c2sc(cc2)C(=O)C)cc1)C
• Title of publication: 1,3,5-Tris(2-acetylthienyl)benzene
• Authors of publication: Zhu, Chen-Hao; Pu, Ji-Qin; Huang, Jian-Yan; Wu, Jie-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4312 - o4314
• a: 25.62 ± 0.016 Å
• b: 4.179 ± 0.003 Å
• c: 20.043 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2146 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes