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Information card for entry 8106763
Preview
| Coordinates | 8106763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H19 Cl O6 |
|---|---|
| Calculated formula | C16 H19 Cl O6 |
| SMILES | Clc1ccc(cc1)C1OCC(CO1)(C(=O)OCC)C(=O)OCC |
| Title of publication | Crystal structure of diethyl 2-(4-chlorophenyl)-1,3-dioxane-5,5-dicarboxylate, C16H19ClO6 |
| Authors of publication | Yuan, Xian-You; Zhang, Min; Yuan, Lin; Li, Zhong-Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 1041 - 1042 |
| a | 7.905 ± 0.003 Å |
| b | 9.194 ± 0.004 Å |
| c | 13.094 ± 0.005 Å |
| α | 99.928 ± 0.004° |
| β | 105.341 ± 0.004° |
| γ | 109.283 ± 0.004° |
| Cell volume | 830.2 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280867 (current) | 2023-02-13 | cif/ Adding structures of 8106763 via cif-deposit CGI script. |
8106763.cif |
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Users of the data should acknowledge the original authors of the
structural data.