Information card for entry 7151246

Structure parameters

• Formula: C17 H25 N O3
• Calculated formula: C17 H25 N O3
• SMILES: N1([C@H](C(OC1=O)(C)C)C(C)C)C(=O)[C@H]1[C@@H]2C[C@H]([C@@H]1C)C=C2
• Title of publication: SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.
• Authors of publication: Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 15
• Pages of publication: 2945 - 2964
• a: 7.2402 ± 0.0001 Å
• b: 11.8197 ± 0.0002 Å
• c: 18.467 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1580.35 ± 0.05 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 4
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No