Information card for entry 4126249

Structure parameters

• Formula: C11 H12 N2 O5
• Calculated formula: C11 H12 N2 O5
• SMILES: O=N(=O)c1ccc(cc1)[C@H](OC)[C@@H]1NC(=O)OC1
• Title of publication: Asymmetric Radical Bicyclization of Allyl Azidoformates via Cobalt(II)-Based Metalloradical Catalysis.
• Authors of publication: Jiang, Huiling; Lang, Kai; Lu, Hongjian; Wojtas, Lukasz; Zhang, X. Peter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 6.4316 ± 0.0005 Å
• b: 8.2971 ± 0.0006 Å
• c: 11.1074 ± 0.0008 Å
• α: 90°
• β: 92.841 ± 0.002°
• γ: 90°
• Cell volume: 592 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No