Information card for entry 1544236

Structure parameters

• Formula: C22 H26 N2 O2
• Calculated formula: C22 H26 N2 O2
• SMILES: O=C(NC(C)(C)C)[C@]1(CNc2ccccc2)C(=O)c2c(CC1)cccc2
• Title of publication: A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes.
• Authors of publication: Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 1238 - 1242
• a: 9.20362 ± 0.00017 Å
• b: 10.9688 ± 0.0003 Å
• c: 19.3712 ± 0.0004 Å
• α: 90°
• β: 100.345 ± 0.002°
• γ: 90°
• Cell volume: 1923.79 ± 0.08 ų
• Cell temperature: 295.1 ± 0.5 K
• Ambient diffraction temperature: 295.1 ± 0.5 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: 0.0558
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No