Information card for entry 4104237

Structure parameters

• Formula: C15 H16 I N O3
• Calculated formula: C15 H16 I N O3
• SMILES: I[C@@H]1[C@H](C(=O)N2[C@@H](c3ccccc3)COC2=O)[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: 8.21 ± 0.003 Å
• b: 7.441 ± 0.002 Å
• c: 12.614 ± 0.004 Å
• α: 90°
• β: 95.165 ± 0.005°
• γ: 90°
• Cell volume: 767.5 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No