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Information card for entry 1552867
Preview
Coordinates | 1552867.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H39 Au Cl N2 P3 |
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Calculated formula | C44 H39 Au Cl N2 P3 |
SMILES | [Au]([P](C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C#N)(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C#N)C(C)(C)C)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 | 10.8276 ± 0.0002 Å |
b | 33.9018 ± 0.0004 Å |
c | 11.4594 ± 0.0002 Å |
α | 90° |
β | 113.03 ± 0.002° |
γ | 90° |
Cell volume | 3871.21 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0299 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.0619 |
Weighted residual factors for all reflections included in the refinement | 0.0627 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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