Information card for entry 2222887

Structure parameters

• Chemical name: (2<i>E</i>,2'<i>E</i>)-1,1'-Bis(2,5-dimethyl-3-thienyl)-3,3'-(<i>p</i>- phenylene)diprop-2-en-1-one
• Formula: C24 H22 O2 S2
• Calculated formula: C24 H22 O2 S2
• SMILES: s1c(C)cc(c1C)C(=O)/C=C/c1ccc(cc1)/C=C/C(=O)c1c(sc(c1)C)C
• Title of publication: (2<i>E</i>,2'<i>E</i>)-1,1'-Bis(2,5-dimethyl-3-thienyl)-3,3'-(<i>p</i>-phenylene)diprop-2-en-1-one
• Authors of publication: Asiri, Abdullah Mohamed; Khan, Salman A.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1726
• a: 15.612 ± 0.0012 Å
• b: 7.56 ± 0.0006 Å
• c: 18.2863 ± 0.0014 Å
• α: 90°
• β: 111.305 ± 0.004°
• γ: 90°
• Cell volume: 2010.8 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• 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: 0.111
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes