Information card for entry 7052834

Structure parameters

• Formula: C21 H26 N2 O4
• Calculated formula: C21 H26 N2 O4
• SMILES: O=C1N(c2ccccc2)C(=O)[C@H](C1)[C@]1(OC(=O)C(=N1)[C@H](C)CC)C(C)(C)C
• Title of publication: Enantioselective addition of oxazolones to maleimides. An easy entry to quaternary aminoacids
• Authors of publication: Alba, Andrea-Nekane R.; Valero, Guillem; Calbet, Teresa; Font-Bardía, Mercé; Moyano, Albert; Rios, Ramon
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 613
• a: 10.674 ± 0.006 Å
• b: 8.769 ± 0.004 Å
• c: 11.811 ± 0.004 Å
• α: 90°
• β: 116.21 ± 0.02°
• γ: 90°
• Cell volume: 991.8 ± 0.8 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No