Information card for entry 7250825

Structure parameters

• Chemical name: rac-(1S,2R,3R,4S)-3-bromo-1-methyl-2,4-diphenyl-1,2,3,4- tetrahydronaphthalene-1-carbonitrile
• Formula: C24 H20 Br N
• Calculated formula: C24 H20 Br N
• 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: 11.3261 ± 0.0004 Å
• b: 11.5715 ± 0.0005 Å
• c: 16.2185 ± 0.0007 Å
• α: 86.402 ± 0.003°
• β: 75.842 ± 0.003°
• γ: 76.186 ± 0.003°
• Cell volume: 2001.4 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0248
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No