Information card for entry 7153548

Structure parameters

• Formula: C18 H31 N O4
• Calculated formula: C18 H31 N O4
• SMILES: O1C(OCC1)(CCC)CC[C@@H]1OC(=O)N2[C@H]1CC[C@@H]2CCCC
• Title of publication: A concise and fully selective synthesis of the ant venom alkaloid (3S,5R,8S,9S)-3-butyl-5-propyl-8-hydroxyindolizidine
• Authors of publication: Lin, Geng-Jie; Huang, Pei-Qiang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 21
• Pages of publication: 4491 - 4495
• a: 5.5694 ± 0.0015 Å
• b: 10.414 ± 0.003 Å
• c: 30.935 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1794.2 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No