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Information card for entry 4063363
Preview
Coordinates | 4063363.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H13 Cl Pd S |
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Calculated formula | C11 H13 Cl Pd S |
SMILES | [CH2]1=[CH]2C3CC[S](c4ccccc4)[Pd]123Cl |
Title of publication | Sterically Governed Selectivity in Palladium-Assisted Allylic Alkylation |
Authors of publication | Kleimark, Jonatan; Johansson, Charlotte; Olsson, Susanne; Håkansson, Mikael; Hansson, Sverker; Åkermark, Björn; Norrby, Per-Ola |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 2 |
Pages of publication | 230 |
a | 7.778 ± 0.0014 Å |
b | 15.665 ± 0.002 Å |
c | 19.09 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2326 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P c a b |
Hall space group symbol | -P 2bc 2ac |
Residual factor for all reflections | 0.0379 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0848 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation probe | x-ray |
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/4063363.html
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