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Information card for entry 7015576
Preview
Coordinates | 7015576.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H28 Cu F6 N4 O7 S2 |
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Calculated formula | C23 H28 Cu F6 N4 O7 S2 |
SMILES | [Cu]123([OH]C)[n]4cccc(c4C=[N]3[C@@H]3CCCC[C@H]3[N]2=Cc2[n]1cccc2C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction. |
Authors of publication | Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 14 |
Pages of publication | 3677 - 3682 |
a | 9.629 ± 0.0003 Å |
b | 11.788 ± 0.0005 Å |
c | 13.824 ± 0.0005 Å |
α | 99.918 ± 0.002° |
β | 105.773 ± 0.002° |
γ | 96.22 ± 0.001° |
Cell volume | 1467.4 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0438 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.0774 |
Weighted residual factors for all reflections included in the refinement | 0.083 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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