Information card for entry 2210088

Structure parameters

• Chemical name: (+)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>R</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>R</i>)-phenoxypropionyl]-5-phenyloxazolidin-2-one
• Authors of publication: Coumbarides, Gregory S.; Eames, Jason; Motevalli, Majid; Malatesti, Nela; Yohannes, Yonas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4041 - o4042
• a: 16.915 ± 0.012 Å
• b: 10.634 ± 0.005 Å
• c: 9.226 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1659.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes