Information card for entry 1505926

Structure parameters

• Formula: C25 H26 F6 N2 O5 Pd
• Calculated formula: C25 H26 F6 N2 O5 Pd
• Title of publication: Aerobic intramolecular oxidative amination of alkenes catalyzed by NHC-coordinated palladium complexes.
• Authors of publication: Rogers, Michelle M.; Wendlandt, Johanna E.; Guzei, Ilia A.; Stahl, Shannon S.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 2257 - 2260
• a: 16.9495 ± 0.0009 Å
• b: 15.8806 ± 0.0009 Å
• c: 20.9138 ± 0.0012 Å
• α: 90°
• β: 105.999 ± 0.001°
• γ: 90°
• Cell volume: 5411.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No