Information card for entry 4022777

Structure parameters

• Formula: C13 H19 N O6
• Calculated formula: C13 H19 N O6
• SMILES: O=C1N2[C@H]([C@@H]([C@@H](O)C1)C(=O)OC)[C@@H]1OC(O[C@@H]1C2)(C)C
• Title of publication: A Versatile Strategy for Divergent and Diastereoselective Synthesis of Natural Product-Like Polyhydroxylated Indolizidines
• Authors of publication: Xiao-Ping Jiang; Ying Cheng; Gao-Feng Shi; Zhi-Mei Kang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 2212 - 2215
• a: 9.6256 ± 0.0019 Å
• b: 9.795 ± 0.002 Å
• c: 14.391 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1356.8 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No