Information card for entry 4029076

Structure parameters

• Formula: C19 H24 N2 O4
• Calculated formula: C19 H24 N2 O4
• SMILES: O=C1[C@@H]2CC(=C[C@@]1(NC(=O)OC(C)(C)C)c1c(nc(OC)cc1)C2)C.O=C1[C@H]2CC(=C[C@]1(NC(=O)OC(C)(C)C)c1c(nc(OC)cc1)C2)C
• 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: 7.5758 ± 0.0002 Å
• b: 9.3709 ± 0.0003 Å
• c: 12.8849 ± 0.0004 Å
• α: 92.136 ± 0.001°
• β: 97.274 ± 0.002°
• γ: 97.046 ± 0.001°
• Cell volume: 899.22 ± 0.05 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No