Information card for entry 7157409

Structure parameters

• Formula: C18 H21 N O6
• Calculated formula: C18 H21 N O6
• Title of publication: Synthesis of β-lactams via diastereoselective, intramolecular Kinugasa reactions.
• Authors of publication: Popik, Oskar; Grzeszczyk, Barbara; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 2852 - 2860
• a: 5.7158 ± 0.0008 Å
• b: 16.615 ± 0.002 Å
• c: 19.036 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1807.8 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No