Information card for entry 4026275

Structure parameters

• Formula: C16 H25 N O2
• Calculated formula: C16 H25 N O2
• SMILES: C1CC[C@@]23C(=O)C[C@H]4C[C@@H](C[C@H]([C@@]24CCCN13)O)C
• 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: 8.2499 ± 0.0009 Å
• b: 8.2499 ± 0.0009 Å
• c: 42.596 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2899.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.2421
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No