Information card for entry 4104235

Structure parameters

• Formula: C14 H15 N O3
• Calculated formula: C14 H15 N O3
• SMILES: N1([C@@H](c2ccccc2)COC1=O)C(=O)[C@H]1[C@H](C1)C
• 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: 6.436 ± 0.003 Å
• b: 11.931 ± 0.006 Å
• c: 8.232 ± 0.004 Å
• α: 90°
• β: 98.125 ± 0.006°
• γ: 90°
• Cell volume: 625.8 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No