Information card for entry 4026276

Structure parameters

• Formula: C21 H35 N O5
• Calculated formula: C21 H35 N O5
• SMILES: C1CC[C@]2([C@H]3C[C@@H]4C[C@H](C[C@@]([C@]24CCCN1C(=O)OC(C)(C)C)(O3)O)C)O
• Title of publication: Application of the Helquist Annulation in Lycopodium Alkaloid Synthesis: Unified Total Syntheses of (-)-8-Deoxyserratinine, (+)-Fawcettimine, and (+)-Lycoflexine
• Authors of publication: Yu-Rong Yang; Liang Shen; Jiu-Zhong Huang; Tao Xu; Kun Wei
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3684 - 3690
• a: 7.817 ± 0.006 Å
• b: 8.455 ± 0.007 Å
• c: 33.54 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2217 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.2221
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2026
• Weighted residual factors for all reflections included in the refinement: 0.279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No