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Information card for entry 4106103
Preview
Coordinates | 4106103.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H28 Cl N3 Ni |
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Calculated formula | C27 H28 Cl N3 Ni |
SMILES | [Ni]1(Cl)([N](c2ccccc2N1c1c(cccc1)c1ccccc1)(C)C)[n]1ccc(cc1C)C |
Title of publication | A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides |
Authors of publication | Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 7084 - 7095 |
a | 15.2003 ± 0.0016 Å |
b | 16.024 ± 0.003 Å |
c | 19.873 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4840.5 ± 1.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0811 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.0906 |
Weighted residual factors for all reflections included in the refinement | 0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.236 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4106103.html
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