Information card for entry 7107632

Structure parameters

• Formula: C28 H49 Al Br I Li N O2
• Calculated formula: C28 H49 Al Br I Li N O2
• Title of publication: Regioselective heterohalogenation of 4-halo-anisoles via a series of sequential ortho-aluminations and electrophilic halogenations
• Authors of publication: Ben Conway; Elaine Crosbie; Alan Kennedy; Robert E. Mulvey; Stuart Robertson
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4674
• a: 11.9465 ± 0.0004 Å
• b: 14.3366 ± 0.0006 Å
• c: 19.2013 ± 0.0006 Å
• α: 98.48 ± 0.003°
• β: 101.603 ± 0.003°
• γ: 96.384 ± 0.003°
• Cell volume: 3152.4 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No