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Information card for entry 8106897
Preview
| Coordinates | 8106897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H36 Cl2 O7 |
|---|---|
| Calculated formula | C26 H36 Cl2 O7 |
| Title of publication | Crystal structure of (2-(2-chlorophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol hemihydrate, C13H17ClO3 · 0.5 H2O |
| Authors of publication | Yuan, Lin; Zhang, Xing-Yu; Yuan, Xian-You |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 429 - 430 |
| a | 14.201 ± 0.0008 Å |
| b | 24.4565 ± 0.0015 Å |
| c | 7.8551 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2728.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1164 |
| Weighted residual factors for all reflections included in the refinement | 0.1291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281770 (current) | 2023-03-09 | cif/ Adding structures of 8106897 via cif-deposit CGI script. |
8106897.cif |
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Users of the data should acknowledge the original authors of the
structural data.