Information card for entry 4022776

Structure parameters

• Formula: C15 H21 N O7
• Calculated formula: C15 H21 N O7
• SMILES: O1[C@@H]2CN3[C@@H]([C@@H]2OC1(C)C)[C@H]([C@H](CC3=O)C(=O)OC)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: 11.003 ± 0.002 Å
• b: 5.9276 ± 0.0012 Å
• c: 13.224 ± 0.003 Å
• α: 90°
• β: 108.59 ± 0.03°
• γ: 90°
• Cell volume: 817.4 ± 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: 0.0732
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0973
• 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