Information card for entry 7715401

Structure parameters

• Formula: C20 H23 Al N2
• Calculated formula: C20 H23 Al N2
• SMILES: [AlH2](=C1N(C(=C(N1C)C)C)C)C1c2c(c3c1cccc3)cccc2
• Title of publication: NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)_<i>n</i>-heterocycles (<i>n</i> = 2,3).
• Authors of publication: Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5932 - 5946
• a: 8.4966 ± 0.0002 Å
• b: 13.6726 ± 0.0003 Å
• c: 15.2417 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1770.64 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No