Information card for entry 8105109
| 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 |
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https://www.crystallography.net/8105109.html
