Information card for entry 7118739

Structure parameters

• Formula: C24 H46 Br F5 P2 Pd S
• Calculated formula: C24 H46 Br F5 P2 Pd S
• SMILES: [Pd](Br)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)c1ccc(S(F)(F)(F)(F)F)cc1
• Title of publication: Palladium-mediated borylation of pentafluorosulfanyl functionalized compounds: the crucial role of metal fluorido complexes.
• Authors of publication: Berg, Claudia; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 20
• Pages of publication: 3931 - 3934
• a: 9.3877 ± 0.0005 Å
• b: 12.7766 ± 0.0005 Å
• c: 26.0735 ± 0.0015 Å
• α: 90°
• β: 108.762 ± 0.004°
• γ: 90°
• Cell volume: 2961.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No