Information card for entry 2010236

Structure parameters

• Formula: C26 H26 O4 S2
• Calculated formula: C26 H26 O4 S2
• SMILES: CCOC(=O)c1ccccc1SCc1cccc(c1)CSc1ccccc1C(=O)OCC
• Title of publication: Diethyl 2,2'-[1,3-phenylenebis(methylthio)]dibenzoate
• Authors of publication: Sillanpää, Reijo; Kivekäs, Raikko; Escriche, Lluis; Lucena, Natividad; Teixidor, Francesc; Casabó, Jaume
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2049 - 2051
• a: 14.502 ± 0.002 Å
• b: 10.904 ± 0.003 Å
• c: 14.503 ± 0.002 Å
• α: 90°
• β: 90.34 ± 0.01°
• γ: 90°
• Cell volume: 2293.3 ± 0.8 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.78
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No