Information card for entry 7115476

Structure parameters

• Formula: C33 H44 Al F2 N5
• Calculated formula: C33 H44 Al F2 N5
• SMILES: [Al]1([N](=C(C=C(N1CCN(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(Nc1ccc(F)cc1)Nc1ccc(F)cc1
• Title of publication: Yttrium-catalysed dehydrocoupling of alanes with amines
• Authors of publication: Adi E. Nako; Sarah J. Gates; Nicole Schadel; Andrew J. P. White; Mark R. Crimmin
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9536
• a: 9.13917 ± 0.00011 Å
• b: 15.5779 ± 0.0003 Å
• c: 22.9215 ± 0.0004 Å
• α: 90°
• β: 94.3724 ± 0.0013°
• γ: 90°
• Cell volume: 3253.82 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No