Information card for entry 7109038

Structure parameters

• Formula: C20 H31 Al
• Calculated formula: C20 H31 Al
• SMILES: [AlH]123([C]4(=C(C(=C(C14C)C)C)C)C)[C]1(=[C]2(C(=C(C31C)C)C)C)C
• Title of publication: Reductive elimination: a pathway to low-valent aluminium species
• Authors of publication: Chelladurai Ganesamoorthy; Sinah Loerke; Christian Gemel; Paul Jerabek; Manuela Winter; Gernot Frenking; Roland A. Fischer
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2858
• a: 12.808 ± 0.0003 Å
• b: 15.2538 ± 0.0003 Å
• c: 19.2266 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3756.31 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No