Information card for entry 2228965

Structure parameters

• Chemical name: (<i>R</i>)-(+)-Dimethyl[4-oxido-2-oxo-1-(1-phenylethyl)-1,2,5,6- tetrahydropyridin-3-yl]sulfonium
• Formula: C15 H19 N O2 S
• Calculated formula: C15 H19 N O2 S
• SMILES: S(C)(=C1C(=O)N([C@@H](c2ccccc2)C)CCC1=O)C
• Title of publication: (<i>R</i>)-(+)-Dimethyl[4-oxido-2-oxo-1-(1-phenylethyl)-1,2,5,6-tetrahydropyridin-3-yl]sulfonium
• Authors of publication: Gordillo, Paola G.; Terán, Joel L.; Juárez, Jorge R.; Mendoza, Angel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o239
• a: 5.986 ± 0.0017 Å
• b: 7.405 ± 0.0014 Å
• c: 31.589 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1400.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes