Information card for entry 7122420

Structure parameters

• Formula: C23 H33 Cl N2 O3
• Calculated formula: C23 H33 Cl N2 O3
• 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: 10.753 ± 0.0005 Å
• b: 11.5829 ± 0.0004 Å
• c: 19.2555 ± 0.0007 Å
• α: 90°
• β: 100.949 ± 0.004°
• γ: 90°
• Cell volume: 2354.63 ± 0.16 ų
• Cell temperature: 292.6 ± 1 K
• Ambient diffraction temperature: 292.6 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No