Information card for entry 1541884

Structure parameters

• Formula: C24 H28 I N O9
• Calculated formula: C24 H28 I N O9
• SMILES: Ic1ccc2N(C(=O)[C@@]3(C(C(=O)OC)([C@H]3C(=O)OC(C)(C)C)C(=O)OC)c2c1)C(=O)OC(C)(C)C
• Title of publication: Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene
• Authors of publication: Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 2717
• a: 10.52245 ± 0.00015 Å
• b: 10.52245 ± 0.00015 Å
• c: 48.9522 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5420.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No