Information card for entry 4107906

Structure parameters

• Formula: C14 H19 N O4
• Calculated formula: C14 H19 N O4
• SMILES: C1(=O)C[C@H]2C(=O)C[C@H]3C[C@@]2([C@H]([C@@H]2CCCN32)OC)O1
• Title of publication: Total Synthesis of the Securinega Alkaloid (-)-Secu'amamine A
• Authors of publication: Peng Liu; Sungwoo Hong; Steven M. Weinreb
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7562 - 7563
• a: 6.7443 ± 0.0019 Å
• b: 11.952 ± 0.004 Å
• c: 15.773 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1271.4 ± 0.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.757
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No