Information card for entry 7151236

Structure parameters

• Formula: C21 H25 N O7
• Calculated formula: C21 H25 N O7
• SMILES: N1([C@@H](CC/C1=C(\C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)c1ccccc1
• Title of publication: 2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations.
• Authors of publication: Hussaini, Syed Raziullah; Moloney, Mark G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 13
• Pages of publication: 2600 - 2615
• a: 8.8317 ± 0.0005 Å
• b: 10.1281 ± 0.0005 Å
• c: 12.024 ± 0.0007 Å
• α: 90°
• β: 103.017 ± 0.002°
• γ: 90°
• Cell volume: 1047.89 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0672
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No