Information card for entry 4022775

Structure parameters

• Formula: C14 H21 N O5
• Calculated formula: C14 H21 N O5
• SMILES: N12[C@@H]([C@@H]3OC(O[C@@H]3C2)(C)C)[C@H]([C@@H](CC1=O)C)C(=O)OC
• 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: 6.7769 ± 0.0014 Å
• b: 9.5119 ± 0.0019 Å
• c: 11.533 ± 0.002 Å
• α: 90°
• β: 92.86 ± 0.03°
• γ: 90°
• Cell volume: 742.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No