Information card for entry 7155414

Structure parameters

• Formula: C13 H23 N O4
• Calculated formula: C13 H23 N O4
• SMILES: N1(C(=O)C[C@H](O)[C@H]1CC(C)C)C(=O)OC(C)(C)C
• Title of publication: An efficient approach to trans-4-hydroxy-5-substituted 2-pyrrolidinones through a stereoselective tandem Barbier process: divergent syntheses of (3R,4S)-statines, (+)-preussin and (-)-hapalosin.
• Authors of publication: Si, Chang-Mei; Shao, Lu-Ping; Mao, Zhuo-Ya; Zhou, Wen; Wei, Bang-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 649 - 661
• a: 6.2188 ± 0.0009 Å
• b: 9.282 ± 0.0013 Å
• c: 25.561 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1475.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No