Information card for entry 1553183

Structure parameters

• Chemical name: scm5-1986
• Formula: C21 H33 N O4 Si
• Calculated formula: C21 H33 N O4 Si
• SMILES: [Si](O[C@H]1[C@@H](N(C(=O)OC(C)(C)C)C(=O)C1)c1ccccc1)(C)(C)C(C)(C)C
• Title of publication: Stereoselective formation of chiral trans-4-hydroxy-5-substituted 2-pyrrolidinones: syntheses of streptopyrrolidine and 3-epi-epohelmin A
• Authors of publication: Si, Chang-Mei; Mao, Zhuo-Ya; Liu, Yi-Wen; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 1485
• a: 6.3258 ± 0.0002 Å
• b: 17.6205 ± 0.0006 Å
• c: 20.9213 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2331.97 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1041
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No