Information card for entry 7107631

Structure parameters

• Formula: C28 H50 Al I Li N O2
• Calculated formula: C28 H50 Al 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: 11.2262 ± 0.001 Å
• b: 11.3662 ± 0.0009 Å
• c: 13.7161 ± 0.0012 Å
• α: 83.989 ± 0.007°
• β: 79.243 ± 0.008°
• γ: 62.826 ± 0.002°
• Cell volume: 1529.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No