Information card for entry 2014769

Structure parameters

• Chemical name: 3,4-Bis[(4-methoxybenzoyl)methylsulfanyl]thiophene
• Formula: C22 H20 O4 S3
• Calculated formula: C22 H20 O4 S3
• SMILES: c1c(c(cs1)SCC(=O)c1ccc(cc1)OC)SCC(=O)c1ccc(cc1)OC
• Title of publication: 3,4-Bis[(4-methoxybenzoyl)methylsulfanyl]thiophene
• Authors of publication: Özbey, Süheyla; Kaynak, F. Betül; Ertas, Erdal; Ozturk, Turan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o393 - o395
• a: 10.4682 ± 0.0012 Å
• b: 10.9027 ± 0.0012 Å
• c: 18.4929 ± 0.0012 Å
• α: 90°
• β: 101.39 ± 0.007°
• γ: 90°
• Cell volume: 2069.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes