Information card for entry 7151467

Structure parameters

• Formula: C21 H27 N O7
• Calculated formula: C21 H27 N O7
• SMILES: N1([C@H](CC[C@H]1C(=O)OCC)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: 11.559 ± 0.0003 Å
• b: 11.8196 ± 0.0003 Å
• c: 15.3885 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2102.42 ± 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: 0.0305
• Weighted residual factors for all reflections included in the refinement: 0.0346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0751
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No