Information card for entry 2200480

Structure parameters

• Chemical name: 4,4'-Bis(5-Carbomethoxy-2-thienyl)phenyl sulfide
• Formula: C24 H18 O4 S3
• Calculated formula: C24 H18 O4 S3
• SMILES: COC(=O)c1ccc(s1)c1ccc(cc1)Sc1ccc(cc1)c1ccc(s1)C(=O)OC
• Title of publication: Bis[4-(5-methoxycarbonyl-2-thienyl)phenyl] sulfide
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Hoong-Kun Fun; Dipanjan Pan; Jayanta Kumar Ray
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o842 - o843
• a: 11.8692 ± 0.0003 Å
• b: 6.0255 ± 0.0002 Å
• c: 29.7783 ± 0.0006 Å
• α: 90°
• β: 94.221 ± 0.001°
• γ: 90°
• Cell volume: 2123.9 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes