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Information card for entry 4036727
Preview
Coordinates | 4036727.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H19 O5 P |
---|---|
Calculated formula | C18 H19 O5 P |
SMILES | P1(=O)(O[C@@H]([C@H](O1)C)C)O[C@@H](C(=O)c1ccccc1)c1ccccc1.P1(=O)(O[C@H]([C@@H](O1)C)C)O[C@H](C(=O)c1ccccc1)c1ccccc1 |
Title of publication | Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone. |
Authors of publication | Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 14 |
Pages of publication | 5837 - 5850 |
a | 9.297 ± 0.005 Å |
b | 12.571 ± 0.006 Å |
c | 15.387 ± 0.007 Å |
α | 90° |
β | 101.619 ± 0.007° |
γ | 90° |
Cell volume | 1761.5 ± 1.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1218 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1535 |
Weighted residual factors for all reflections included in the refinement | 0.188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4036727.html
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