Information card for entry 1543497

Structure parameters

• Chemical name: dimethyl 2-((4-tert-butyl-5-morpholinooxazol-2-yl)(phenyl)methyl)malonate
• Formula: C23 H30 N2 O6
• Calculated formula: C23 H29 N2 O6
• SMILES: o1c(N2CCOCC2)c(nc1[C@@H](c1ccccc1)C(C(=O)OC)C(=O)OC)C(C)(C)C
• Title of publication: A N,N′-dioxide/Mg(OTf)2complex catalyzed enantioselective α-addition of isocyanides to alkylidene malonates
• Authors of publication: Luo, Weiwei; Yuan, Xiao; Lin, Lili; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4736
• a: 10.8375 ± 0.0004 Å
• b: 9.941 ± 0.0003 Å
• c: 11.3983 ± 0.0004 Å
• α: 90°
• β: 101.181 ± 0.004°
• γ: 90°
• Cell volume: 1204.69 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0762
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No