Information card for entry 4068175

Structure parameters

• Formula: C24 H29 F2 I N P Pd
• Calculated formula: C24 H29 F2 I N P Pd
• SMILES: I[Pd]1([P](C(C)(C)C)(C(C)(C)C)Cc2ccc3cccc(c3[n]12)F)c1ccc(cc1)F
• Title of publication: Palladium-Assisted Room-Temperature Nucleophilic Substitution of an Unactivated Aryl Fluoride
• Authors of publication: Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1275
• a: 12.3519 ± 0.0006 Å
• b: 11.7474 ± 0.0006 Å
• c: 16.7887 ± 0.0009 Å
• α: 90°
• β: 99.84 ± 0.003°
• γ: 90°
• Cell volume: 2400.2 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.1213
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No