Information card for entry 2210084

Structure parameters

• Chemical name: (-)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>R</i>)-(4-methylphenyl)propionyl]- 5-phenyloxazolidin-2-one
• Formula: C20 H21 N O3
• Calculated formula: C20 H21 N O3
• SMILES: [C@H]1([C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](c1ccc(cc1)C)C)C
• Title of publication: (‒)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>R</i>)-(4-methylphenyl)propionyl]-5-phenyloxazolidin-2-one
• Authors of publication: Chavda, Sameer; Eames, Jason; Flinn, Anthony; Motevalli, Majid; Malatesti, Nela
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4037 - o4038
• a: 13.066 ± 0.008 Å
• b: 9.509 ± 0.008 Å
• c: 7.201 ± 0.004 Å
• α: 90°
• β: 102.95 ± 0.04°
• γ: 90°
• Cell volume: 871.9 ± 1 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: 0.0446
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes