Information card for entry 7152575

Structure parameters

• Chemical name: (meso)1-methyl-2,5-diphenethylpyrrolidin-1-ium chloride
• Formula: C21 H28 Cl N
• Calculated formula: C21 H28 Cl N
• Title of publication: Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.
• Authors of publication: Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 35
• Pages of publication: 7148 - 7157
• a: 25.438 ± 0.002 Å
• b: 10.671 ± 0.0005 Å
• c: 7.125 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1934.07 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No