Information card for entry 4103384

Structure parameters

• Formula: C14 H11 B F4 N2 O Pd
• Calculated formula: C14 H11 B F4 N2 O Pd
• Title of publication: Allylic C-H Acetoxylation with a 4,5-Diazafluorenone-Ligated Palladium Catalyst: A Ligand-Based Strategy To Achieve Aerobic Catalytic Turnover
• Authors of publication: Alison N. Campbell; Paul B. White; Ilia A. Guzei; Shannon S. Stahl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15116 - 15119
• a: 13.7592 ± 0.0004 Å
• b: 6.5942 ± 0.0002 Å
• c: 15.8076 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1434.24 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No