Information card for entry 1558647

Structure parameters

• Formula: C29 H33.25 Al F1.75 N2
• Calculated formula: C29 H33 Al F1.75 N2
• Title of publication: Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity
• Authors of publication: Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 14.522 ± 0.0004 Å
• b: 20.1046 ± 0.0008 Å
• c: 8.9481 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2612.48 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0667
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No