Information card for entry 1555553

Structure parameters

• Common name: ethyl (2'S,3R,4'S,5'S)-2'-ethyl-5-fluoro-5'-methyl-2-oxo-5',6' -dihydro-2'H,4'H-spiro[indoline-3,3'-pyran]-4'-carboxylate
• Formula: C18 H22 F N O4
• Calculated formula: C18 H22 F N O4
• SMILES: O=C1Nc2c([C@]31[C@@H](C(=O)OCC)[C@@H](CO[C@H]3CC)C)cc(F)cc2
• Title of publication: Enantioselective Construction of Spirocyclic Oxindole Derivatives with Multiple Stereocenters via an Organocatalytic Michael/Aldol/Hemiacetalization Cascade Reaction.
• Authors of publication: Zhu, Luyi; Chen, Qiliang; Shen, Dan; Zhang, Weihao; Shen, Cong; Zeng, Xiaofei; Zhong, Guofu
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2387 - 2390
• a: 9.7821 ± 0.0003 Å
• b: 11.5835 ± 0.0004 Å
• c: 14.8591 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1683.7 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No