Information card for entry 4027509

Structure parameters

• Formula: C21 H30 O3 Si
• Calculated formula: C21 H30 O3 Si
• SMILES: [Si](O[C@H](CO)CCCO)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: A Divergent Approach to 3-Piperidinols: A Concise Syntheses of (+)-Swainsonine and Access to the 1-Substituted Quinolizidine Skeleton
• Authors of publication: Glenn Archibald; Chih-Pei Lin; Peter Boyd; David Barker; Vittorio Caprio
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 7968 - 7980
• a: 10.656 ± 0.0002 Å
• b: 8.0887 ± 0.0001 Å
• c: 12.7562 ± 0.0003 Å
• α: 90°
• β: 105.223 ± 0.001°
• γ: 90°
• Cell volume: 1060.92 ± 0.03 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No