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Information card for entry 8105109
Preview
| Coordinates | 8105109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H14 O3 |
|---|---|
| Calculated formula | C9 H14 O3 |
| Title of publication | Crystal structure of dipentyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate, C18H28O6 |
| Authors of publication | Li, Zhuang-Yu; Liu, Xiao-Jing; Guo, Zi-Yu; Li, Wen-Yu; Liu, E.; Jian, Fang-Fang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 2 |
| Pages of publication | 365 - 366 |
| a | 15.061 ± 0.003 Å |
| b | 13.791 ± 0.003 Å |
| c | 10.106 ± 0.002 Å |
| α | 90° |
| β | 118.6 ± 0.03° |
| γ | 90° |
| Cell volume | 1843 ± 0.8 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294.3 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0259 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274839 (current) | 2022-05-03 | cif/ Adding structures of 8105109 via cif-deposit CGI script. |
8105109.cif |
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Users of the data should acknowledge the original authors of the
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