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Information card for entry 4106091
Preview
Coordinates | 4106091.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H48 Li2 N6 |
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Calculated formula | C36 H48 Li2 N6 |
SMILES | [Li]123[N](c4c([NH]3C(C)C)cccc4)(c3ccccc3[NH]3C(C)C)[Li]34[N]2(c2c([NH]1C(C)C)cccc2)c1ccccc1[NH]4C(C)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 | 9.425 ± 0.01 Å |
b | 9.633 ± 0.007 Å |
c | 19.58 ± 0.02 Å |
α | 101.9 ± 0.07° |
β | 98.01 ± 0.07° |
γ | 103.41 ± 0.06° |
Cell volume | 1659 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1807 |
Residual factor for significantly intense reflections | 0.0862 |
Weighted residual factors for significantly intense reflections | 0.1509 |
Weighted residual factors for all reflections included in the refinement | 0.1905 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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