Information card for entry 7151468

Structure parameters

• Formula: C22 H29 N O7
• Calculated formula: C22 H29 N O7
• SMILES: N1([C@@H](CC[C@H]1C(=O)OCC)C(C)(C(=O)OCC)C(=O)OCC)C(=O)c1ccccc1
• Title of publication: 2,5-Disubstituted pyrrolidines: versatile regioselective and diastereoselective synthesis by enamine reduction and subsequent alkylation
• Authors of publication: Hussaini, Syed Raziullah; Moloney, Mark G.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 11
• Pages of publication: 1838
• a: 5.8063 ± 0.0002 Å
• b: 16.1078 ± 0.0002 Å
• c: 22.717 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2124.65 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No