Information card for entry 2210087

Structure parameters

• Chemical name: (-)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>S</i>)-phenoxypropionyl]- 5-phenyloxazolidin-2-one
• Formula: C19 H19 N O4
• Calculated formula: C19 H19 N O4
• SMILES: [C@H]1([C@H](c2ccccc2)OC(=O)N1C(=O)[C@H](C)Oc1ccccc1)C
• Title of publication: (‒)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>S</i>)-phenoxypropionyl]-5-phenyloxazolidin-2-one
• Authors of publication: Chavda, Sameer; Eames, Jason; Motevalli, Majid; Malatesti, Nela
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4043 - o4045
• a: 11.268 ± 0.007 Å
• b: 10.493 ± 0.005 Å
• c: 15.008 ± 0.009 Å
• α: 90°
• β: 102.96 ± 0.04°
• γ: 90°
• Cell volume: 1729.3 ± 1.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes