Information card for entry 7154234

Structure parameters

• Formula: C20 H21 N O3
• Calculated formula: C20 H21 N O3
• Title of publication: Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.
• Authors of publication: Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2092 - 2099
• a: 7.4058 ± 0.0006 Å
• b: 12.3833 ± 0.0012 Å
• c: 18.9412 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1737.1 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 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: 0.04
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No