Information card for entry 7058969

Structure parameters

• Formula: C34 H46 O4
• Calculated formula: C34 H46 O4
• 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: 12.2984 ± 0.0006 Å
• b: 14.6289 ± 0.0007 Å
• c: 7.9467 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1429.71 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No