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Information card for entry 4036691
Preview
Coordinates | 4036691.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H14 F4 O7 |
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Calculated formula | C12 H14 F4 O7 |
SMILES | FC1(F)[C@@H](OC(=O)C)[C@H](OC(=O)C)O[C@@H](C1(F)F)COC(=O)C.FC1(F)[C@H](OC(=O)C)[C@@H](OC(=O)C)O[C@H](C1(F)F)COC(=O)C |
Title of publication | Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses. |
Authors of publication | Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 11 |
Pages of publication | 4434 - 4453 |
a | 19.9933 ± 0.0011 Å |
b | 10.6809 ± 0.0008 Å |
c | 15.059 ± 0.0014 Å |
α | 90° |
β | 110.869 ± 0.002° |
γ | 90° |
Cell volume | 3004.8 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0597 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.094 |
Weighted residual factors for all reflections included in the refinement | 0.1028 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
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/4036691.html
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Users of the data should acknowledge the original authors of the
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