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Information card for entry 4125876
Preview
Coordinates | 4125876.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Cu4(?3-OH)2(OAc)6(C5H11N)4] |
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Chemical name | dihydroxo-hexaacetato-tetrapiperidino-tetracopper(II) |
Formula | C36 H70 Cu4 N6 O14 |
Calculated formula | C36 H70 Cu4 N6 O14 |
SMILES | C1C[NH](CCC1)[Cu]123[OH]4[Cu](OC(=O)C)([O]=C(O[Cu]54([NH]4CCCCC4)[O]=C(C)O[Cu]([NH]4CCCCC4)(OC(=O)C)([OH]35)[O]=C(O1)C)C)([NH]1CCCCC1)[O]=C(C)O2.C(#N)C.C(#N)C |
Title of publication | Spectroscopic Studies of the Chan-Lam Amination: A Mechanism-Inspired Solution to Boronic Ester Reactivity. |
Authors of publication | Vantourout, Julien C.; Miras, Haralampos N.; Isidro-Llobet, Albert; Sproules, Stephen; Watson, Allan J. B. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 13 |
Pages of publication | 4769 - 4779 |
a | 10.5862 ± 0.0004 Å |
b | 15.0155 ± 0.0006 Å |
c | 15.7337 ± 0.0006 Å |
α | 90° |
β | 109.653 ± 0.005° |
γ | 90° |
Cell volume | 2355.29 ± 0.17 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0472 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0724 |
Weighted residual factors for all reflections included in the refinement | 0.079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4125876.html
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Users of the data should acknowledge the original authors of the
structural data.