Information card for entry 7213472

Structure parameters

• Formula: C28 H29 N O3
• Calculated formula: C28 H29 N O3
• SMILES: O1C(=O)N([C@H](C1(c1ccccc1)c1ccccc1)C(C)C)C(=O)[C@@H](Cc1ccccc1)C
• Title of publication: Highly effective and recyclable chiral auxiliaries: a study of the synthesis and use of three 4-isopropyl-5,5-diaryloxazolidin-2-ones
• Authors of publication: Alexander (née Gillon), Karen; Cook, Stuart; Gibson, Colin L.; Kennedy†, Alan R.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1538
• a: 10.765 ± 0.004 Å
• b: 9.013 ± 0.004 Å
• c: 12.835 ± 0.005 Å
• α: 90°
• β: 111.43 ± 0.03°
• γ: 90°
• Cell volume: 1159.2 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1243
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No