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Information card for entry 4108712
Preview
Coordinates | 4108712.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H28 Cl4 N2 Pd |
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Calculated formula | C16 H28 Cl4 N2 Pd |
SMILES | [Pd]1(Cl)(Cl)[N]23CCCC[C@H]2[C@@H]2C[N]41CCCC[C@H]4[C@H](C3)C2.ClCCl |
Title of publication | Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols |
Authors of publication | Raissa M. Trend; Brian M. Stoltz |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 15957 - 15966 |
a | 9.7607 ± 0.0003 Å |
b | 12.7153 ± 0.0004 Å |
c | 15.4067 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1912.13 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0766 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.0737 |
Weighted residual factors for all reflections included in the refinement | 0.0788 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4108712.html
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Users of the data should acknowledge the original authors of the
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