Information card for entry 1512172

Structure parameters

• Formula: C17 H27 N O4
• Calculated formula: C17 H27 N O4
• SMILES: O=C1[C@]23[C@]4(CCCN(C)C[C@H](O)C3)[C@@H](C[C@H](C2)CC4=O)C1.O
• Title of publication: Isopalhinine A, a Unique PentacyclicLycopodiumAlkaloid fromPalhinhaea cernua
• Authors of publication: Dong, Liao-Bin; Gao, Xiu; Liu, Fei; He, Juan; Wu, Xing-De; Li, Yan; Zhao, Qin-Shi
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 3570
• a: 7.8362 ± 0.0006 Å
• b: 10.7459 ± 0.0008 Å
• c: 18.6308 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1568.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No