Information card for entry 7020713

Structure parameters

• Formula: C22 H46 Al B N2 Si
• Calculated formula: C22 H46 Al B N2 Si
• SMILES: [Al]12([H][B]3([H]1)C1CCCC3CCC1)(C(=C[N]12CCN(C)CC1)[Si](C)(C)C)CC(C)C
• Title of publication: Functional group chemistry at intramolecular frustrated Lewis pairs: substituent exchange at the Lewis acid site with 9-BBN.
• Authors of publication: Erdmann, Markus; Rösener, Christian; Holtrichter-Rößmann, Thorsten; Daniliuc, Constantin G.; Fröhlich, Roland; Uhl, Werner; Würthwein, Ernst-Ulrich; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 709 - 718
• a: 10.2424 ± 0.0005 Å
• b: 10.8886 ± 0.0006 Å
• c: 13.5329 ± 0.0006 Å
• α: 70.176 ± 0.004°
• β: 88.676 ± 0.004°
• γ: 68.055 ± 0.004°
• Cell volume: 1307.62 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No