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Information card for entry 7107944
Preview
Coordinates | 7107944.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H54 Cu I N2 P2 |
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Calculated formula | C54 H54 Cu I N2 P2 |
SMILES | C12=[Cu]3(I)[P](c4c(CN2[C@H]2CC[C@@](C2(C)C)(C)N1Cc1c(cccc1)[P]3(c1ccccc1)c1ccccc1)cccc4)(c1ccccc1)c1ccccc1.Cc1ccccc1 |
Title of publication | Monovalent chiral-at-copper complexes: halide-controlled diastereoselectivity |
Authors of publication | Paul D. Newman; Kingsley J. Cavell; Benson M. Kariuki |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 6511 |
a | 10.5163 ± 0.0005 Å |
b | 12.2376 ± 0.0006 Å |
c | 18.5565 ± 0.0006 Å |
α | 99.611 ± 0.003° |
β | 94.095 ± 0.002° |
γ | 101.605 ± 0.002° |
Cell volume | 2292.79 ± 0.18 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1118 |
Residual factor for significantly intense reflections | 0.0713 |
Weighted residual factors for significantly intense reflections | 0.1441 |
Weighted residual factors for all reflections included in the refinement | 0.1642 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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