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Information card for entry 4034622
Preview
Coordinates | 4034622.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H25 Cl N O4 P S |
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Calculated formula | C19 H25 Cl N O4 P S |
SMILES | c1(c(cc(cc1)Cl)[C@@H](C)NS(=O)(=O)c1ccc(cc1)C)O[P@H](=O)C(C)(C)C |
Title of publication | Asymmetric Library Synthesis of P-Chiral t-Butyl-Substituted Secondary and Tertiary Phosphine Oxides. |
Authors of publication | Li, Shi-Guang; Yuan, Minglei; Topic, Filip; Han, Zhengxu S.; Senanayake, Chris H.; Tsantrizos, Youla S. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 11 |
Pages of publication | 7291 - 7302 |
a | 6.1288 ± 0.0012 Å |
b | 16.1 ± 0.003 Å |
c | 22.181 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2188.7 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 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 | 0.0557 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1203 |
Weighted residual factors for all reflections included in the refinement | 0.1308 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4034622.html
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