Information card for entry 7122421

Structure parameters

• Formula: C43 H68 Cl2 N4 Ni O14
• Calculated formula: C43 H68 Cl2 N4 Ni O14
• Title of publication: Nickel(ii)-catalyzed enantioselective α-alkylation of β-ketoamides with phenyliodonium ylide via a radical process.
• Authors of publication: Guo, Jing; Liu, Xiaohua; He, Changqiang; Tan, Fei; Dong, Shunxi; Feng, Xiaoming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 86
• Pages of publication: 12254 - 12257
• a: 12.9026 ± 0.0002 Å
• b: 12.9026 ± 0.0002 Å
• c: 29.8458 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4968.64 ± 0.16 ų
• Cell temperature: 293.2 ± 0.2 K
• Ambient diffraction temperature: 293.2 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0919
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2282
• Weighted residual factors for all reflections included in the refinement: 0.2564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No