Information card for entry 4024970

Structure parameters

• Formula: C24 H29 N O6
• Calculated formula: C24 H29 N O6
• SMILES: C1(=O)[C@]([C@H](c2ccc(cc2)C)N1c1ccc(cc1)OC)([C@H](C(=O)OCC)OC(C)C)O.C1(=O)[C@@]([C@@H](c2ccc(cc2)C)N1c1ccc(cc1)OC)([C@@H](C(=O)OCC)OC(C)C)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: 9.2178 ± 0.001 Å
• b: 10.9974 ± 0.0012 Å
• c: 12.3831 ± 0.0013 Å
• α: 79.964 ± 0.002°
• β: 71.839 ± 0.002°
• γ: 89.979 ± 0.002°
• Cell volume: 1172.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No