Information card for entry 4024971

Structure parameters

• Formula: C19 H25 N O7
• Calculated formula: C19 H25 N O7
• SMILES: C1(=O)[C@]([C@H]([C@H]2COC(C)(C)O2)N1Cc1ccccc1)([C@H](C(=O)OCC)O)O
• Title of publication: Rhodium-Catalyzed Synthesis of 3-Hydroxy-β-lactams via Oxonium Ylide Generation: Three-Component Reaction between Azetidine-2,3-diones, Ethyl Diazoacetate, and Alcohols
• Authors of publication: Benito Alcaide; Pedro Almendros; Cristina Aragoncillo; Ricardo Callejo; M. Pilar Ruiz; M. Rosario Torres
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8421 - 8424
• a: 5.5776 ± 0.0007 Å
• b: 13.9511 ± 0.0017 Å
• c: 25.656 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1996.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1735
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No