Information card for entry 7155655

Structure parameters

• Formula: C19 H19 N O4
• Calculated formula: C19 H19 N O4
• SMILES: O(c1ccc(C(=O)N2C(=O)CC2(COc2ccccc2)C)cc1)C
• Title of publication: Cobalt carbonyl-catalyzed carbonylation of functionalized aziridines to versatile β-lactam building blocks
• Authors of publication: Piens, Nicola; Van Hecke, Kristof; Vogt, Dieter; D'hooghe, Matthias
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 7.6298 ± 0.0002 Å
• b: 18.0069 ± 0.0007 Å
• c: 18.6575 ± 0.0006 Å
• α: 96.857 ± 0.003°
• β: 98.399 ± 0.003°
• γ: 100.637 ± 0.003°
• Cell volume: 2463.87 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0829
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No