Information card for entry 7104585

Structure parameters

• Formula: C20 H23 F N4 O4 Pd S
• Calculated formula: C20 H23 F N4 O4 Pd S
• Title of publication: Comparative catalytic C-H vs. C-Si activation of arenes with Pd complexes directed by urea or amide groups.
• Authors of publication: Rauf, Waqar; Thompson, Amber L; Brown, John M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 26
• Pages of publication: 3874 - 3876
• a: 7.4418 ± 0.0001 Å
• b: 14.5003 ± 0.0002 Å
• c: 20.746 ± 0.0003 Å
• α: 90°
• β: 96.2239 ± 0.0005°
• γ: 90°
• Cell volume: 2225.47 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No