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Information card for entry 4134537
Preview
Coordinates | 4134537.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H58 Ni O P2 |
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Calculated formula | C38 H58 Ni O P2 |
SMILES | O([Ni]1([P](C2CCCCC2)(C2CCCCC2)CC[P]1(C1CCCCC1)C1CCCCC1)c1ccccc1)c1ccccc1 |
Title of publication | Nickel-Catalyzed Decarbonylative Amination of Carboxylic Acid Esters. |
Authors of publication | Malapit, Christian A.; Borrell, Margarida; Milbauer, Michael W.; Brigham, Conor E.; Sanford, Melanie S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
Journal volume | 142 |
Journal issue | 13 |
Pages of publication | 5918 - 5923 |
a | 8.8378 ± 0.0002 Å |
b | 12.492 ± 0.0003 Å |
c | 16.4162 ± 0.0003 Å |
α | 76.737 ± 0.002° |
β | 78.709 ± 0.002° |
γ | 79.504 ± 0.002° |
Cell volume | 1711.92 ± 0.07 Å3 |
Cell temperature | 85 ± 2 K |
Ambient diffraction temperature | 85 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.1111 |
Weighted residual factors for all reflections included in the refinement | 0.1115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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