Information card for entry 7715402

Structure parameters

• Formula: C27 H31 Al N2
• Calculated formula: C27 H31 Al N2
• SMILES: [AlH](=C1N(C=CN1C(C)C)C(C)C)([C@H]1c2c(C=C1)cccc2)[C@@H]1c2c(C=C1)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: 8.6951 ± 0.0002 Å
• b: 12.8561 ± 0.0002 Å
• c: 20.8697 ± 0.0003 Å
• α: 90°
• β: 101.996 ± 0.002°
• γ: 90°
• Cell volume: 2281.97 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No