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Information card for entry 4029973
Preview
Coordinates | 4029973.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H23 Cl N O3 P Pd |
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Calculated formula | C27 H23 Cl N O3 P Pd |
SMILES | [Pd]12(Cl)[O]=P([C@@H]([C@H]2C(=O)c2[n]1cccc2)c1ccc(OC)cc1)(c1ccccc1)c1ccccc1 |
Title of publication | PCN Pincer Palladium(II) Complex Catalyzed Enantioselective Hydrophosphination of Enones: Synthesis of Pyridine-Functionalized Chiral Phosphine Oxides as NCsp(3)O Pincer Preligands. |
Authors of publication | Hao, Xin-Qi; Huang, Juan-Juan; Wang, Tao; Lv, Jing; Gong, Jun-Fang; Song, Mao-Ping |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 20 |
Pages of publication | 9512 - 9530 |
a | 7.9822 ± 0.0002 Å |
b | 17.328 ± 0.0005 Å |
c | 17.6516 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2441.49 ± 0.13 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291.15 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0392 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0597 |
Weighted residual factors for all reflections included in the refinement | 0.063 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 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/4029973.html
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