Information card for entry 7152576

Structure parameters

• Common name: 2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1- phenylethanone)
• Chemical name: 2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1-phenylethanone)
• Formula: C33 H29 N O2
• Calculated formula: C33 H29 N O2
• SMILES: C1=C[C@@H](N(C(c2ccccc2)c2ccccc2)[C@@H]1CC(=O)c1ccccc1)CC(=O)c1ccccc1
• 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: 8.806 ± 0.004 Å
• b: 11.377 ± 0.005 Å
• c: 26.118 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2616.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No