Information card for entry 7216880

Structure parameters

• Formula: C13 H23 N O3 Si
• Calculated formula: C13 H23 N O3 Si
• 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: 13.645 ± 0.002 Å
• b: 6.18 ± 0.001 Å
• c: 18.791 ± 0.003 Å
• α: 90°
• β: 94.73 ± 0.01°
• γ: 90°
• Cell volume: 1579.2 ± 0.4 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.1247
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No