Information card for entry 1508752

Structure parameters

• Formula: C17 H23 N O3
• Calculated formula: C17 H23 N O3
• SMILES: N12CCC[C@@]3(C(=O)C(=C4C[C@@H](CC(=O)[C@]34CCC1)C)O)C2
• Title of publication: Lycojaponicumins D and E: two new alkaloids from Lycopodium japonicum.
• Authors of publication: Wang, Xiao-Jing; Liu, Yun-Bao; Li, Li; Yu, Shi-Shan; Lv, Hai-Ning; Ma, Shuang-Gang; Bao, Xiu-Qi; Zhang, Dan; Qu, Jing; Li, Yong
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5688 - 5691
• a: 6.3189 ± 0.0009 Å
• b: 13.2585 ± 0.0019 Å
• c: 17.498 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1466 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0354
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No