Information card for entry 7151233

Structure parameters

• Formula: C19 H27 N O4
• Calculated formula: C19 H27 N O4
• SMILES: N1([C@H](CC(OC1=O)(C)C)C(C)C)C(=O)[C@@H]([C@H](c1ccccc1)O)C
• Title of publication: Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.
• Authors of publication: Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 14
• Pages of publication: 2753 - 2768
• a: 17.9151 ± 0.0005 Å
• b: 9.5994 ± 0.0003 Å
• c: 12.1722 ± 0.0004 Å
• α: 90°
• β: 119.664 ± 0.0013°
• γ: 90°
• Cell volume: 1818.96 ± 0.1 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1371
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No