Information card for entry 4119006

Structure parameters

• Formula: C19 H26 N2 O5 S
• Calculated formula: C19 H26 N2 O5 S
• SMILES: S(=O)(=O)(N(OC)[C@@H](C)[C@@H]1C(=CC[C@H]2C(C)(C)[C@@H]12)C)c1ccc(N(=O)=O)cc1
• Title of publication: Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G
• Authors of publication: Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 20009 - 20012
• a: 6.751 ± 0.002 Å
• b: 10.752 ± 0.003 Å
• c: 14.225 ± 0.005 Å
• α: 90°
• β: 101.543 ± 0.005°
• γ: 90°
• Cell volume: 1011.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0751
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No