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Information card for entry 4028217
Preview
Coordinates | 4028217.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H28 F O6 P S |
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Calculated formula | C26 H28 F O6 P S |
SMILES | C(=C\[C@H]([C@H](F)S(=O)(=O)c1ccccc1)c1ccccc1)(/c1ccccc1)OP(=O)(OCC)OCC.C(=C\[C@@H]([C@@H](F)S(=O)(=O)c1ccccc1)c1ccccc1)(/c1ccccc1)OP(=O)(OCC)OCC |
Title of publication | Conjugate Addition of Diethyl 1-Fluoro-1-phenylsulfonylmethanephosphonate to α,β-Unsaturated Compounds |
Authors of publication | Stanislav Opekar; Radek Pohl; Václav Eigner; Petr Beier |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 4573 - 4579 |
a | 15.099 ± 0.003 Å |
b | 9.3135 ± 0.0014 Å |
c | 18.43 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2591.7 ± 0.7 Å3 |
Cell temperature | 190 K |
Ambient diffraction temperature | 190 K |
Ambient diffracton pressure | 101 kPa |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1099 |
Residual factor for significantly intense reflections | 0.1032 |
Weighted residual factors for all reflections | 0.112 |
Weighted residual factors for significantly intense reflections | 0.106 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9328 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4028217.html
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Users of the data should acknowledge the original authors of the
structural data.