Information card for entry 1559814

Structure parameters

• Chemical name: Benzyl 3-(((4S,5R)-2-oxo-4,5-diphenyloxazolidin-3-yl)methyl)pentanoate
• Formula: C28 H29 N O4
• Calculated formula: C28 H29 N O4
• SMILES: O1C(=O)N([C@@H](c2ccccc2)[C@H]1c1ccccc1)C[C@@H](CC(=O)OCc1ccccc1)CC
• Title of publication: A Giese reaction for electron-rich alkenes.
• Authors of publication: Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 2225 - 2230
• a: 6.1281 ± 0.0002 Å
• b: 27.1638 ± 0.0005 Å
• c: 28.2117 ± 0.0007 Å
• α: 90°
• β: 91.472 ± 0.002°
• γ: 90°
• Cell volume: 4694.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0692
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No