Information card for entry 4105758

Structure parameters

• Formula: C15 H15 N O2
• Calculated formula: C15 H15 N O2
• SMILES: c1ccccc1C1=C[C@]1(C(=O)OC(C)(C)C)C#N
• Title of publication: Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis
• Authors of publication: Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3304 - 3307
• a: 5.4994 ± 0.0001 Å
• b: 11.142 ± 0.0002 Å
• c: 21.8188 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1336.93 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No