Information card for entry 2004332

Structure parameters

• Chemical name: (4'S)-2-(Benzyl-oxazolidine-2'-one-3'carbonyl)-3-phenylacrylic acid methyl ester
• Formula: C21 H19 N O5
• Calculated formula: C21 H19 N O5
• SMILES: O1C(=O)N([C@H](C1)Cc1ccccc1)C(=O)/C(=C\c1ccccc1)C(=O)OC
• Title of publication: (2<i>E</i>,4'<i>S</i>)-2-(4'-Benzyl-2'-oxo-3'-oxazolidinylcarbonyl)-3-phenylacrylic Acid Methyl Ester
• Authors of publication: Pohl, E.; Schünke, C.; Tietze, L. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 246 - 248
• a: 9.929 ± 0.002 Å
• b: 8.75 ± 0.002 Å
• c: 11.23 ± 0.002 Å
• α: 90°
• β: 107.21 ± 0.02°
• γ: 90°
• Cell volume: 932 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.0693
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No