Information card for entry 7058968

Structure parameters

• Formula: C34 H42 N0 O2
• Calculated formula: C34 H42 O2
• Title of publication: Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations
• Authors of publication: Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 15743
• a: 13.169 ± 0.0006 Å
• b: 6.8675 ± 0.0003 Å
• c: 15.9197 ± 0.0007 Å
• α: 90°
• β: 101.802 ± 0.002°
• γ: 90°
• Cell volume: 1409.31 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No