Information card for entry 1512059

Structure parameters

• Formula: C17 H26 F3 N O6
• Calculated formula: C17 H26 F3 N O6
• SMILES: FC(F)(F)C(=O)[O-].O.O=C1[C@H]2[C@@H]3[C@]4([NH+](CCC3)CCC4=C1O)C[C@@H](C2)C.O
• Title of publication: Lycospidine A, a New Type ofLycopodiumAlkaloid fromLycopodium complanatum
• Authors of publication: Cheng, Jin-Tang; Liu, Fei; Li, Xiao-Nian; Wu, Xing-De; Dong, Liao-Bin; Peng, Li-Yan; Huang, Sheng-Xiong; He, Juan; Zhao, Qin-Shi
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2438
• a: 9.241 ± 0.0017 Å
• b: 7.3317 ± 0.0013 Å
• c: 14.239 ± 0.003 Å
• α: 90°
• β: 106.149 ± 0.003°
• γ: 90°
• Cell volume: 926.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No