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Information card for entry 8107380
Preview
| Coordinates | 8107380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H14 O6 |
|---|---|
| Calculated formula | C10 H14 O6 |
| Title of publication | The crystal structure of 3-hydroxy-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic monohydrate, C10H14O6 |
| Authors of publication | Huang, Li-Ming; Xia, Ying-Fan; Wang, Hai-Bin; Lin, Shu-Ting; Zhang, Jia-Rong; Jiang, Cheng-Jun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 157 - 158 |
| a | 7.5531 ± 0.0002 Å |
| b | 9.3964 ± 0.0003 Å |
| c | 9.5089 ± 0.0003 Å |
| α | 61.833 ± 0.001° |
| β | 68.623 ± 0.001° |
| γ | 86.575 ± 0.001° |
| Cell volume | 548.8 ± 0.03 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.141 |
| Weighted residual factors for all reflections included in the refinement | 0.1438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284486 (current) | 2023-06-16 | cif/ Adding structures of 8107380 via cif-deposit CGI script. |
8107380.cif |
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Users of the data should acknowledge the original authors of the
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