Information card for entry 4064950

Structure parameters

• Formula: C29 H47 N4 O Ta
• Calculated formula: C29 H47 N4 O Ta
• SMILES: [Ta]1(OC([C@@H](N1C1CCCCC1)C(C)C)(c1ccccc1)c1ccccc1)(N(C)C)(N(C)C)N(C)C
• Title of publication: Asymmetric Catalytic Intramolecular Hydroamination of Aminoallenes by Tantalum Amidoalkoxide Complexes
• Authors of publication: Hansen, Michelle C.; Heusser, Carolyn A.; Narayan, Tarun C.; Fong, Kristine E.; Hara, Nagiko; Kohn, Alexander W.; Venning, Alexander R.; Rheingold, Arnold L.; Johnson, Adam R.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4616
• a: 9.2269 ± 0.0005 Å
• b: 16.2635 ± 0.0008 Å
• c: 19.5119 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2928 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0165
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No