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Information card for entry 4026745
Preview
Coordinates | 4026745.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26.5 H23 Cl N2 O6.5 Pd2 S2 |
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Calculated formula | C26.5 H23 Cl N2 O6.5 Pd2 S2 |
Title of publication | Palladium-Catalyzed Coupling of Arene C-H Bonds with Methyl- and Arylboron Reagents Assisted by the Removable 2-Pyridylsulfinyl Group |
Authors of publication | José A. Romero-Revilla; Alfonso García-Rubia; Ramón Goméz Arrayás; M. Ángeles Fernández-Ibáñez; Juan C. Carretero |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 9525 - 9530 |
a | 23.0429 ± 0.0006 Å |
b | 19.253 ± 0.0005 Å |
c | 15.1462 ± 0.0004 Å |
α | 90° |
β | 105.922 ± 0.001° |
γ | 90° |
Cell volume | 6461.7 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0466 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.1161 |
Weighted residual factors for all reflections included in the refinement | 0.1377 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.218 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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