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Information card for entry 4033023
Preview
Coordinates | 4033023.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H22 Cl O2 P |
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Calculated formula | C27 H22 Cl O2 P |
SMILES | P(=O)(c1ccccc1)(c1ccccc1)C(c1ccc(Cl)cc1)CC(=O)c1ccccc1 |
Title of publication | Zn(OTf)2-Catalyzed Phosphinylation of Propargylic Alcohols: Access to γ-Ketophosphine Oxides. |
Authors of publication | Shan, Changkai; Chen, Fushan; Pan, Jiaoting; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 21 |
Pages of publication | 11659 - 11666 |
a | 5.71 ± 0.002 Å |
b | 9.405 ± 0.003 Å |
c | 20.359 ± 0.007 Å |
α | 88.572 ± 0.006° |
β | 88.944 ± 0.006° |
γ | 76.822 ± 0.006° |
Cell volume | 1064.1 ± 0.6 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0676 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1344 |
Weighted residual factors for all reflections included in the refinement | 0.1426 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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