Information card for entry 4078104

Structure parameters

• Formula: C28 H48 Al N Si
• Calculated formula: C28 H48 Al N Si
• SMILES: [Al](C(=C\[NH+]1[C@H](C)CCC[C@@H]1C)/[Si](C)(C)C)(C(C)(C)C)(C(C)(C)C)C#Cc1ccccc1
• Title of publication: Generation of Weakly Bound Al‒N Lewis Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide
• Authors of publication: Holtrichter-Rößmann, Thorsten; Rösener, Christian; Hellmann, Johannes; Uhl, Werner; Würthwein, Ernst-Ulrich; Fröhlich, Roland; Wibbeling, Birgit
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3272
• a: 9.8157 ± 0.0001 Å
• b: 17.2096 ± 0.0002 Å
• c: 17.4767 ± 0.0002 Å
• α: 90°
• β: 96.555 ± 0.001°
• γ: 90°
• Cell volume: 2932.94 ± 0.06 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No