Information card for entry 4102680

Structure parameters

• Formula: C21 H39 N O3
• Calculated formula: C21 H39 N O3
• SMILES: O=C(OC(C)(C)C)N1CCC[C@@]21CCCC[C@H]2CC[C@@H](O)CCCC
• Title of publication: Fully Substituted Carbon Centers by Diastereoselective Spirocyclization: Stereoselective Synthesis of (+)-Lepadiformine C
• Authors of publication: Matthew A. Perry; Matthew D. Morin; Brian W. Slafer; Scott A. Wolckenhauer; Scott D. Rychnovsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 9591 - 9593
• a: 9.177 ± 0.002 Å
• b: 9.864 ± 0.002 Å
• c: 12.207 ± 0.003 Å
• α: 90°
• β: 104.397 ± 0.003°
• γ: 90°
• Cell volume: 1070.3 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No