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Information card for entry 1552873
Preview
Coordinates | 1552873.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H51 Cl9 N2 O3 P3 Rh |
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Calculated formula | C55 H51 Cl9 N2 O3 P3 Rh |
SMILES | C(=[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#N)[P](C(=[P](c1ccccc1)(c1ccccc1)c1ccccc1)C#N)(C1CCCCC1)[Rh]1([O]=C(C)C=C(O1)C)C#[O].ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl |
Title of publication | Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations |
Authors of publication | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2019 |
a | 11.00739 ± 0.00005 Å |
b | 22.02102 ± 0.00012 Å |
c | 24.05162 ± 0.00013 Å |
α | 90° |
β | 102.989 ± 0.0005° |
γ | 90° |
Cell volume | 5680.79 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0305 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0766 |
Weighted residual factors for all reflections included in the refinement | 0.0772 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1552873.html
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