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Information card for entry 4026867
Preview
Coordinates | 4026867.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H20 O5 |
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Calculated formula | C15 H20 O5 |
SMILES | O1C(=O)[C@@H](C)[C@H](O)[C@]1(CO)CCOCc1ccccc1 |
Title of publication | Dihydroxylation-Based Approach for the Asymmetric Syntheses of Hydroxy-γ-butyrolactones |
Authors of publication | Jennifer Peed; Iwan R. Davies; Lucy R. Peacock; James E. Taylor; Gabriele Kociok-Köhn; Steven D. Bull |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 543 - 555 |
a | 5.8808 ± 0.0002 Å |
b | 11.1665 ± 0.0002 Å |
c | 21.9865 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1443.81 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0555 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.0915 |
Weighted residual factors for all reflections included in the refinement | 0.0981 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/4026867.html
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Users of the data should acknowledge the original authors of the
structural data.