Information card for entry 7218494

Structure parameters

• Common name: name
• Formula: C16 H21 N O5
• Calculated formula: C16 H21 N O5
• SMILES: O(C(=O)N1C[C@H](O)[C@@H]2OC(OC[C@H]12)(C)C)Cc1ccccc1
• Title of publication: Total synthesis of (+)-swainsonine and (+)-epi-swainsonine
• Authors of publication: Trajkovic, Milos; Balanac, Vesna; Ferjancic, Zorana; Saicic, Radomir Nikola
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 5.3218 ± 0.0002 Å
• b: 13.302 ± 0.0005 Å
• c: 21.728 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1538.14 ± 0.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No