Information card for entry 1507554

Structure parameters

• Formula: C22 H23 N O4
• Calculated formula: C22 H23 N O4
• SMILES: O1[C@H](O[C@H]2C(=O)OCC2(C)C)C[C@@H](N=C1c1ccccc1)c1ccccc1
• Title of publication: First Asymmetric Synthesis of a 6-Alkoxy-5,6-dihydro-1,3-oxazine: A Promising Enantioselective Route to β-Amido Aldehydes
• Authors of publication: Gizecki, Patricia; Dhal, Robert; Toupet, Loïc; Dujardin, Gilles
• Journal of publication: Organic Letters
• Year of publication: 2000
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 585
• a: 11.144 ± 0.002 Å
• b: 11.144 ± 0.002 Å
• c: 27.418 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2948.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.1392
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No