Information card for entry 1503811

Structure parameters

• Formula: C16 H23 N O3
• Calculated formula: C16 H23 N O3
• SMILES: C1CCC(=O)[C@@]23[C@@H]4CC(=O)O[C@]3(C[C@@H](C4)C)N1CCC2
• Title of publication: Lycojapodine A, a novel alkaloid from Lycopodium japonicum.
• Authors of publication: He, Juan; Chen, Xuan-Qin; Li, Ming-Ming; Zhao, Yu; Xu, Gang; Cheng, Xiao; Peng, Li-Yan; Xie, Min-Jin; Zheng, Yong-Tang; Wang, Yi-Ping; Zhao, Qin-Shi
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1397 - 1400
• a: 7.1643 ± 0.0008 Å
• b: 10.625 ± 0.0012 Å
• c: 9.4329 ± 0.0011 Å
• α: 90°
• β: 97.123 ± 0.001°
• γ: 90°
• Cell volume: 712.5 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No