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Information card for entry 1504921
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1504921.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H10 F10 N2 O4 Pd |
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Calculated formula | C26 H10 F10 N2 O4 Pd |
SMILES | c1ccccc1[N]1=Cc2cccc[n]2[Pd]1(OC(=O)c1c(F)c(F)c(F)c(F)c1F)OC(=O)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | A bench-stable Pd catalyst for the hydroarylation of fullerene with boronic acids. |
Authors of publication | Mori, Susumu; Nambo, Masakazu; Chi, Liang-Chen; Bouffard, Jean; Itami, Kenichiro |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 20 |
Pages of publication | 4609 - 4612 |
a | 9.38 ± 0.007 Å |
b | 10.986 ± 0.008 Å |
c | 13.109 ± 0.01 Å |
α | 97.608 ± 0.009° |
β | 108.089 ± 0.01° |
γ | 97.256 ± 0.009° |
Cell volume | 1252.5 ± 1.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1747 |
Residual factor for significantly intense reflections | 0.1084 |
Weighted residual factors for significantly intense reflections | 0.2082 |
Weighted residual factors for all reflections included in the refinement | 0.2559 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1504921.html
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Users of the data should acknowledge the original authors of the
structural data.