Information card for entry 7040139

Structure parameters

• Formula: C27 H41 Al N2
• Calculated formula: C27 H41 Al N2
• SMILES: [AlH]([n]1ccc(N(C)C)cc1)(C1(C(=C(C(=C1C)C)C)C)C)C1(C(=C(C(=C1C)C)C)C)C
• Title of publication: Ligand coordination modulates reductive elimination from aluminium(iii).
• Authors of publication: Urwin, Stephanie J.; Rogers, David M.; Nichol, Gary S.; Cowley, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13695 - 13699
• a: 15.5778 ± 0.0007 Å
• b: 11.6033 ± 0.0004 Å
• c: 15.6858 ± 0.0007 Å
• α: 90°
• β: 116.418 ± 0.005°
• γ: 90°
• Cell volume: 2539.2 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No