Information card for entry 4104236

Structure parameters

• Formula: C15 H17 N O3
• Calculated formula: C15 H17 N O3
• SMILES: c1ccccc1[C@@H]1COC(=O)N1C(=O)[C@@H]1C[C@@H]1CC
• Title of publication: Directed Carbozincation Reactions of Cyclopropene Derivatives
• Authors of publication: Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5382 - 5383
• a: 10.16 ± 0.005 Å
• b: 6.033 ± 0.003 Å
• c: 11.43 ± 0.006 Å
• α: 90°
• β: 104.658 ± 0.006°
• γ: 90°
• Cell volume: 677.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No