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Information card for entry 8107181
Preview
| Coordinates | 8107181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H11 N3 O6 |
|---|---|
| Calculated formula | C10 H11 N3 O6 |
| Title of publication | Crystal structure of (Z)-2-(1-bromo-2-phenylvinyl)-5-ethyl-2-methyl-1,3-dioxane-5-carboxylic acid, C15H17Br1O4 |
| Authors of publication | Jia, Guo-Kai; Yuan, Xian-You |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 661 - 662 |
| a | 7.4928 ± 0.0012 Å |
| b | 14.86 ± 0.003 Å |
| c | 11.0593 ± 0.0018 Å |
| α | 90° |
| β | 109.465 ± 0.005° |
| γ | 90° |
| Cell volume | 1161 ± 0.4 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283684 (current) | 2023-05-11 | cif/ Adding structures of 8107181 via cif-deposit CGI script. |
8107181.cif |
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Users of the data should acknowledge the original authors of the
structural data.