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Information card for entry 4131296
Preview
Coordinates | 4131296.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H59 Cl3 N O4 P Pd |
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Calculated formula | C42 H59 Cl3 N O4 P Pd |
SMILES | [Pd]1([P](c2c(c(OC)ccc2OC)[c]21c(cc(cc2C(C)C)C(C)C)C(C)C)(C1CCCCC1)C1CCCCC1)(N(=O)=O)c1ccccc1.ClC(Cl)Cl |
Title of publication | The Suzuki-Miyaura Coupling of Nitroarenes. |
Authors of publication | Yadav, M. Ramu; Nagaoka, Masahiro; Kashihara, Myuto; Zhong, Rong-Lin; Miyazaki, Takanori; Sakaki, Shigeyoshi; Nakao, Yoshiaki |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 28 |
Pages of publication | 9423 - 9426 |
a | 11.313 ± 0.002 Å |
b | 11.747 ± 0.002 Å |
c | 18.32 ± 0.004 Å |
α | 100.322 ± 0.001° |
β | 103.982 ± 0.002° |
γ | 105.943 ± 0.002° |
Cell volume | 2191.5 ± 0.7 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0698 |
Residual factor for significantly intense reflections | 0.0553 |
Weighted residual factors for significantly intense reflections | 0.1335 |
Weighted residual factors for all reflections included in the refinement | 0.1459 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4131296.html
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