Information card for entry 7250823

Structure parameters

• Chemical name: '2R,3R,E)-2-methyl-2-(4-nitrophenyl)-3,5-diphenylpent-4-enenitrile'
• Formula: C24 H20 N2 O2
• Calculated formula: C24 H20 N2 O2
• 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: 9.4802 ± 0.0005 Å
• b: 11.7086 ± 0.0006 Å
• c: 17.1437 ± 0.001 Å
• α: 90°
• β: 93.047 ± 0.005°
• γ: 90°
• Cell volume: 1900.26 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0527
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No