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Information card for entry 1519126
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1519126.cif |
---|
Formula | C13 H19 Cl O8 |
---|---|
Calculated formula | C13 H19 Cl O8 |
SMILES | ClC[C@H]([C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Title of publication | C13H19ClO8 |
Authors of publication | Sawden, Janette; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 1993 |
Pages of publication | 1183 |
a | 7.9919 ± 0.0004 Å |
b | 22.982 ± 0.006 Å |
c | 8.845 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1624.6 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0409 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0763 |
Weighted residual factors for all reflections included in the refinement | 0.09 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.406 |
Diffraction radiation wavelength | 0.71069 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/1519126.html
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Users of the data should acknowledge the original authors of the
structural data.