Information card for entry 1549476

Structure parameters

• Chemical name: Dipp-BDIAlH(o-tol)
• Formula: C36 H48.9 Al Cl0.1 N2
• Calculated formula: C36 H48.9 Al Cl0.1 N2
• Title of publication: Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.
• Authors of publication: Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 5435 - 5440
• a: 12.086 ± 0.0004 Å
• b: 22.1931 ± 0.0007 Å
• c: 12.9055 ± 0.0004 Å
• α: 90°
• β: 106.077 ± 0.004°
• γ: 90°
• Cell volume: 3326.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 5
• 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: 0.087
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No