Information card for entry 2224506

Structure parameters

• Chemical name: 1,2-Bis(2-methyl-5-phenyl-3-thienyl)benzene
• Formula: C28 H22 S2
• Calculated formula: C28 H22 S2
• SMILES: c1(c(cccc1)c1c(C)sc(c1)c1ccccc1)c1c(C)sc(c1)c1ccccc1
• Title of publication: 1,2-Bis(2-methyl-5-phenyl-3-thienyl)benzene
• Authors of publication: Miao, Wen-Juan; Li, Liang-Hua; Lu, Shan; Liu, Gang; Fan, Cong-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3003
• a: 10.0934 ± 0.0012 Å
• b: 10.0945 ± 0.0012 Å
• c: 11.9565 ± 0.0015 Å
• α: 83.803 ± 0.001°
• β: 67.769 ± 0.001°
• γ: 86.362 ± 0.001°
• Cell volume: 1120.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes