Information card for entry 4122302

Structure parameters

• Formula: C17 H26 Cl N O Ta
• Calculated formula: C17 H26 Cl N4 O Ta
• SMILES: [Ta]1(Cl)(Oc2[n]1cccc2c1ccccc1)(N(C)C)(N(C)C)N(C)C
• Title of publication: 2-pyridonate tantalum complexes for the intermolecular hydroaminoalkylation of sterically demanding alkenes.
• Authors of publication: Chong, Eugene; Brandt, Jason W.; Schafer, Laurel L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 31
• Pages of publication: 10898 - 10901
• a: 10.8175 ± 0.0019 Å
• b: 13.761 ± 0.002 Å
• c: 21.924 ± 0.004 Å
• α: 83.546 ± 0.005°
• β: 76.684 ± 0.005°
• γ: 68.516 ± 0.005°
• Cell volume: 2953.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No