Information card for entry 4106769

Structure parameters

• Formula: C24 H41 N O6 Si
• Calculated formula: C24 H41 N O6 Si
• SMILES: [Si](O[C@H]1C(=C(C[C@H](C(=O)OCC)[C@H]1C(=O)N1CCOC1=O)C)C)(C(C)C)(C(C)C)C(C)C
• Title of publication: Enantioselective Total Syntheses of (-)-Palau'amine, (-)-Axinellamines, and (-)-Massadines
• Authors of publication: Ian B. Seiple; Shun Su; Ian S. Young; Akifumi Nakamura; Junichiro Yamaguchi; Lars Jørgensen; Rodrigo A. Rodriguez; Daniel P. O'Malley; Tanja Gaich; Matthias Köck; Phil S. Baran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14710 - 14726
• a: 9.3124 ± 0.0002 Å
• b: 21.001 ± 0.0005 Å
• c: 68.1246 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13323.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No