Information card for entry 7216881

Structure parameters

• Formula: C13 H25 N O4 Si
• Calculated formula: C13 H25 N O4 Si
• SMILES: [Si](O[C@H]1CC(=O)N2[C@H]1[C@@H](O)[C@@H](O)C2)(C)(C)C(C)(C)C
• Title of publication: Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue
• Authors of publication: Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 1831
• a: 14.546 ± 0.001 Å
• b: 6.262 ± 0.001 Å
• c: 35.155 ± 0.003 Å
• α: 90°
• β: 98.72 ± 0.01°
• γ: 90°
• Cell volume: 3165.2 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No