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Information card for entry 8104674
Preview
| Coordinates | 8104674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol |
|---|---|
| Formula | C12 H15 Cl O3 |
| Calculated formula | C12 H15 Cl O3 |
| Title of publication | The crystal structure of (2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3 |
| Authors of publication | Zou, Long-Sheng; Li, Zhong-Yan; Yuan, Lin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 1091 - 1092 |
| a | 5.788 ± 0.002 Å |
| b | 11.079 ± 0.004 Å |
| c | 18.916 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1213 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0693 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.172 |
| Weighted residual factors for all reflections included in the refinement | 0.1898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273502 (current) | 2022-03-07 | cif/ Adding structures of 8104674 via cif-deposit CGI script. |
8104674.cif |
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