Information card for entry 2231917

Structure parameters

• Chemical name: (<i>R</i>)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone
• Formula: C17 H15 N O3 S
• Calculated formula: C17 H15 N O3 S
• SMILES: C1(=S)N([C@@H](CO1)c1ccccc1)C(=O)COc1ccccc1
• Title of publication: (<i>R</i>)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone
• Authors of publication: Caracelli, Ignez; Coelho, Daniel C. S.; Olivato, Paulo R.; Correra, Thiago C.; Rodrigues, Alessandro; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2755 - o2756
• a: 33.514 ± 0.003 Å
• b: 5.7514 ± 0.0006 Å
• c: 7.7172 ± 0.0008 Å
• α: 90°
• β: 93.808 ± 0.007°
• γ: 90°
• Cell volume: 1484.2 ± 0.3 ų
• Cell temperature: 126 ± 2 K
• Ambient diffraction temperature: 126 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes