Information card for entry 4037116

Structure parameters

• Formula: C41 H38 F N O9
• Calculated formula: C41 H38 F N O9
• SMILES: c1cccc(c1)CN1c2ccc(cc2[C@@]2(C1=O)[C@@H](CC(=O)OC)CC([C@H]2C(=O)OCC)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)F
• Title of publication: Enantioselective Construction of Spirocyclic Oxindoles via Tandem Michael/Michael Reactions Catalyzed by Multifunctional Quaternary Phosphonium Salt.
• Authors of publication: Zhang, Jiaxing; Cao, Dongdong; Wang, Hongyu; Zheng, Changwu; Zhao, Gang; Shang, Yongjia
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 21
• Pages of publication: 10558 - 10568
• a: 14.4027 ± 0.0005 Å
• b: 8.6895 ± 0.0003 Å
• c: 14.5915 ± 0.0005 Å
• α: 90°
• β: 108.076 ± 0.001°
• γ: 90°
• Cell volume: 1736.03 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No