Information card for entry 4122304

Structure parameters

• Formula: C26 H29 N O
• Calculated formula: C26 H29 N O
• SMILES: c12ccccc1CC[C@@H]([C@H](CC)CCC)N2C(=O)c1cccc2ccccc12.c12ccccc1CC[C@H]([C@@H](CC)CCC)N2C(=O)c1cccc2ccccc12
• 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: 7.442 ± 0.003 Å
• b: 11.75 ± 0.004 Å
• c: 12.367 ± 0.004 Å
• α: 74.751 ± 0.007°
• β: 81.066 ± 0.008°
• γ: 84.295 ± 0.007°
• Cell volume: 1028.7 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No