Information card for entry 4337448

Structure parameters

• Formula: C30 H34 F N2 P Pd
• Calculated formula: C30 H34 F N2 P Pd
• SMILES: [Pd]12([P](C(C)(C)C)(C(C)(C)C)Cc3ccc4cccc(c4[n]13)N2c1ccccc1)c1ccc(cc1)F
• Title of publication: Room temperature rapid functionalization of E-H bonds (E = O, N, S) via the metal-ligand cooperation mechanism.
• Authors of publication: Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 12 - 14
• a: 7.9385 ± 0.0002 Å
• b: 11.0586 ± 0.0002 Å
• c: 29.8637 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2621.7 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No