Information card for entry 7152949

Structure parameters

• Formula: C26 H28 O2 S4
• Calculated formula: C26 H28 O2 S4
• SMILES: C1(=O)/C(C=C(S1)c1sc(cc1)CCCCC)=C1\C=C(SC1=O)c1sc(cc1)CCCCC
• Title of publication: (E)-5,5'-Di(thiophen-2-yl)-3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-diones-from conspicuous blue impurities to "quasi-metallic" golden-bronze crystals.
• Authors of publication: Evans, Nicholas R.; White, Andrew J. P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 3871 - 3879
• a: 5.7198 ± 0.0015 Å
• b: 9.0209 ± 0.0019 Å
• c: 11.863 ± 0.003 Å
• α: 79.85 ± 0.019°
• β: 78.78 ± 0.02°
• γ: 87.139 ± 0.019°
• Cell volume: 590.9 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No