Information card for entry 4026291

Structure parameters

• Formula: C13 H19 N O3
• Calculated formula: C13 H19 N O3
• SMILES: N1([C@H]([C@@H]([C@@H]([C@@H]1C)O)O)c1ccc(cc1)OC)C
• Title of publication: Synthesis and Fucosidase Inhibitory Study of Unnatural Pyrrolidine Alkaloid 4-epi-(+)-Codonopsinine
• Authors of publication: Alexis Kotland; Fabien Accadbled; Koen Robeyns; Jean-Bernard Behr
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 4094 - 4098
• a: 6.8438 ± 0.0003 Å
• b: 6.9463 ± 0.0003 Å
• c: 12.6905 ± 0.0007 Å
• α: 90°
• β: 92.924 ± 0.005°
• γ: 90°
• Cell volume: 602.51 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No