Information card for entry 4119005

Structure parameters

• Formula: C23 H34 N2 O4
• Calculated formula: C23 H34 N2 O4
• SMILES: N(=O)(=O)c1ccc(cc1)C1N(OC)C(=O)CCCCCCCCCCC=C(C1)C
• 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: 9.849 ± 0.004 Å
• b: 11.546 ± 0.005 Å
• c: 19.915 ± 0.008 Å
• α: 90°
• β: 95.101 ± 0.005°
• γ: 90°
• Cell volume: 2255.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No