Information card for entry 4516248

Structure parameters

• Common name: L_5k
• Formula: C40.5 H60 Cl O4 P
• Calculated formula: C40.5 H60 Cl O4 P
• Title of publication: Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands
• Authors of publication: Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 11691
• a: 11.6617 ± 0.0018 Å
• b: 12.3698 ± 0.0019 Å
• c: 14.951 ± 0.002 Å
• α: 100.424 ± 0.002°
• β: 92.731 ± 0.002°
• γ: 115.736 ± 0.002°
• Cell volume: 1891.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No