Information card for entry 2210085

Structure parameters

• Chemical name: (-)-(4<i>R</i>,5<i>S</i>)-3-[2(<i>R</i>)-(4-Chlorophenyl)propionyl]-4-methyl- 5-phenyloxazolidin-2-one
• Formula: C19 H18 Cl N O3
• Calculated formula: C19 H18 Cl N O3
• SMILES: [C@H]1([C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](c1ccc(cc1)Cl)C)C
• Title of publication: (‒)-(4<i>R</i>,5<i>S</i>)-3-[2(<i>R</i>)-(4-Chlorophenyl)propionyl]-4-methyl-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: o4039 - o4040
• a: 7.105 ± 0.003 Å
• b: 25.662 ± 0.012 Å
• c: 9.58 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1746.7 ± 1.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.1314
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes