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Information card for entry 4108569
Preview
Coordinates | 4108569.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C104 H84 O8 P4 Pd4 |
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Calculated formula | C104 H84 O8 P4 Pd4 |
SMILES | [Pd]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[O]([Pd]3(c4c(C(=[O][Pd]5([P](c6ccccc6)(c6ccccc6)c6ccccc6)[O]([Pd]6(c7c(C(=[O]1)O6)c(ccc7)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1c5cccc1C)O3)c(ccc4)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1c2cccc1C |
Title of publication | Synthesis of 1,2- and 1,3-Dicarboxylic Acids via Pd(II)-Catalyzed Carboxylation of Aryl and Vinyl C-H Bonds |
Authors of publication | Ramesh Giri; Jin-Quan Yu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 14082 - 14083 |
a | 23.651 ± 0.009 Å |
b | 15.403 ± 0.006 Å |
c | 27.484 ± 0.011 Å |
α | 90° |
β | 97.371 ± 0.006° |
γ | 90° |
Cell volume | 9930 ± 7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0516 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0825 |
Weighted residual factors for all reflections included in the refinement | 0.0871 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.