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Information card for entry 7005978
Preview
Coordinates | 7005978.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H33 O6 P Pd S |
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Calculated formula | C25 H33 O6 P Pd S |
SMILES | [Pd]123([P](c4c(OC)cccc4)(c4c(OC)cccc4)CCS(=O)(=O)O1)[CH]1CC[C@@H](OC)[C@H]3CC[CH]2=1.[Pd]123([P](c4c(OC)cccc4)(c4c(OC)cccc4)CCS(=O)(=O)O1)[CH]1CC[C@H](OC)[C@@H]3CC[CH]2=1 |
Title of publication | New alkyl derivatives phosphine sulfonate (P-O) ligands. Catalytic activity in Pd-catalysed Suzuki-Miyaura reactions in water. |
Authors of publication | García Suárez, Eduardo J; Ruiz, Aurora; Castillón, Sergio; Oberhauser, Werner; Bianchini, Claudio; Claver, Carmen |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 27 |
Pages of publication | 2859 - 2861 |
a | 9.4428 ± 0.0003 Å |
b | 14.853 ± 0.0005 Å |
c | 17.7593 ± 0.0006 Å |
α | 90° |
β | 100.595 ± 0.001° |
γ | 90° |
Cell volume | 2448.35 ± 0.14 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 | 0.0494 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1199 |
Weighted residual factors for all reflections included in the refinement | 0.1363 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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