Information card for entry 1545020

Structure parameters

• Formula: C22 H22 O5
• Calculated formula: C22 H22 O5
• SMILES: O(C)C(=O)/C=C/C=C/C[C@](O)(C(=O)OC)c1ccc(cc1)c1ccccc1
• Title of publication: Chiral N,N′-Dioxide/Lanthanide(III) Complex Catalyzed Asymmetric Bisvinylogous Mukaiyama Aldol Reactions
• Authors of publication: Fu, Kai; Zhang, Jingchuan; Lin, Lili; Li, Jun; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Organic Letters
• Year of publication: 2017
• a: 5.5512 ± 0.0002 Å
• b: 8.9374 ± 0.0003 Å
• c: 19.4754 ± 0.0006 Å
• α: 102.143 ± 0.003°
• β: 93.557 ± 0.003°
• γ: 90.362 ± 0.003°
• Cell volume: 942.61 ± 0.06 ų
• Cell temperature: 293.2 ± 0.5 K
• Ambient diffraction temperature: 293.2 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No