Information card for entry 4082871

Structure parameters

• Common name: PDJMK1
• Formula: C22 H22 Cl P Pd
• Calculated formula: C22 H22 Cl P Pd
• Title of publication: Mechanistic Investigations of Palladium-Catalyzed Allylic Fluorination
• Authors of publication: Katcher, Matthew H.; Norrby, Per-Ola; Doyle, Abigail G.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2121
• a: 10.5528 ± 0.0005 Å
• b: 10.2258 ± 0.0005 Å
• c: 18.2281 ± 0.0009 Å
• α: 90°
• β: 94.15 ± 0.002°
• γ: 90°
• Cell volume: 1961.85 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No