Information card for entry 1508774

Structure parameters

• Formula: C18 H23 N O4
• Calculated formula: C18 H23 N O4
• SMILES: C1(=O)CC[C@H]([C@H](/C=C/C(=O)OCC)C)N1c1ccc(cc1)OC
• Title of publication: A General Organocatalytic Approach toward the Enantioselective Total Synthesis of Indolizidine Based Alkaloids.
• Authors of publication: Abels, Falko; Lindemann, Chris; Koch, Eva; Schneider, Christoph
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 5972 - 5975
• a: 5.9928 ± 0.0001 Å
• b: 12.5308 ± 0.0003 Å
• c: 22.425 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1684 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No