Information card for entry 1553212

Structure parameters

• Formula: C22 H32 N2 O4
• Calculated formula: C22 H32 N2 O4
• SMILES: n1c2C[C@H]3[C@](O)([C@](NC(=O)OC(C)(C)C)(C[C@@H](C3)C)c2ccc1OC)CC=C
• Title of publication: Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine
• Authors of publication: Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 62
• a: 10.016 ± 0.005 Å
• b: 10.025 ± 0.004 Å
• c: 21.596 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2168.5 ± 1.7 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: 0.0399
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No