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Information card for entry 7118057
Preview
Coordinates | 7118057.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H18 O5 |
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Calculated formula | C10 H18 O5 |
SMILES | C([C@H]1[C@@H](C[C@@H]([C@H]2COC(C)(C)O2)O1)O)O |
Title of publication | Synthesis and discovery of phytofurans: metabolites of α-linolenic acid peroxidation. |
Authors of publication | Cuyamendous, C.; Leung, K. S.; Durand, T.; Lee, J. C.-Y.; Oger, C.; Galano, J.-M. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 86 |
Pages of publication | 15696 - 15699 |
a | 8.897 ± 0.0013 Å |
b | 6.768 ± 0.0015 Å |
c | 18.304 ± 0.002 Å |
α | 90° |
β | 90.365 ± 0.006° |
γ | 90° |
Cell volume | 1102.2 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0521 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for all reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.0491 |
Weighted residual factors for all reflections included in the refinement | 0.0491 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0434 |
Diffraction radiation wavelength | 0.72932 Å |
Diffraction radiation type | synchrotron |
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/7118057.html
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Users of the data should acknowledge the original authors of the
structural data.