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Information card for entry 7112990
Preview
Coordinates | 7112990.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H52 N5 O2 Ta |
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Calculated formula | C46 H52 N5 O2 Ta |
SMILES | [Ta]12(N(c3c(c4c(cc3)cccc4)c3c(N=C(O2)c2c(cc(cc2C)C)C)ccc2c3cccc2)C(=[O]1)c1c(cc(cc1C)C)C)(N(C)C)(N(C)C)N(C)C |
Title of publication | Highly enantioselective hydroaminoalkylation of secondary amines catalyzed by group 5 metal amides with chiral biarylamidate ligands. |
Authors of publication | Zi, Guofu; Zhang, Furen; Song, Haibin |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 34 |
Pages of publication | 6296 - 6298 |
a | 11.687 ± 0.002 Å |
b | 13.451 ± 0.003 Å |
c | 13.686 ± 0.003 Å |
α | 90° |
β | 108.63 ± 0.03° |
γ | 90° |
Cell volume | 2038.7 ± 0.8 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0359 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0843 |
Weighted residual factors for all reflections included in the refinement | 0.0849 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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