Information card for entry 4029079

Structure parameters

• Formula: C21 H30 N2 O4
• Calculated formula: C21 H30 N2 O4
• SMILES: n1c2C[C@@H]3[C@@](O)([C@@](NC(=O)OC(C)(C)C)(C=C(C3)C)c2ccc1OC)CC
• Title of publication: Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.
• Authors of publication: Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 1
• Pages of publication: 240 - 250
• a: 9.9069 ± 0.0009 Å
• b: 10.5077 ± 0.0009 Å
• c: 20.4388 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2127.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No