Information card for entry 7250821

Structure parameters

• Chemical name: '5-benzyl-3-methyl-3,4-diphenylpyrrolidin-2-one dichloromethane solvate'
• Formula: C24.69 H24.37 Cl1.37 N O
• Calculated formula: C24.685 H24.37 Cl1.37 N O
• Title of publication: Cu/Pd dual catalyzed stereoselective construction of vicinal tri- and tetrasubstituted stereocenters connected to chiral α-arylacetonitriles
• Authors of publication: Mimoun, Liliane; Sanaa, Hamdi; Heppner, Florian; Gérard, Hélène; Réset, Laurine; West, Caroline; Vanthuyne, Nicolas; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 30915 - 30920
• a: 11.3461 ± 0.0004 Å
• b: 16.6589 ± 0.0007 Å
• c: 23.3798 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4419.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2344
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No