Information card for entry 4085706

Structure parameters

• Formula: C41 H37 F6 O3 P3 Pd
• Calculated formula: C40.5 H37 F6 O3 P3 Pd
• Title of publication: Chiral Wide-Bite-Angle Diphosphine Ligands: Synthesis, Coordination Chemistry, and Application in Pd-Catalyzed Allylic Alkylation
• Authors of publication: Czauderna, Christine F.; Jarvis, Amanda G.; Heutz, Frank J. L.; Cordes, David B.; Slawin, Alexandra M. Z.; van der Vlugt, Jarl Ivar; Kamer, Paul C. J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1608
• a: 14.976 ± 0.007 Å
• b: 14.669 ± 0.006 Å
• c: 18.633 ± 0.008 Å
• α: 90°
• β: 108.245 ± 0.008°
• γ: 90°
• Cell volume: 3888 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No