Information card for entry 2208649
| Common name |
2,3,4,6-hydroquinone dihydrate |
| Chemical name |
2,3,5,6-tetrafluoro-1,4-dihydroxybenzene dihydrate |
| Formula |
C6 H6 F4 O4 |
| Calculated formula |
C6 H6 F4 O4 |
| SMILES |
Oc1c(F)c(F)c(O)c(F)c1F.O.O |
| Title of publication |
2,3,5,6-Tetrafluorohydroquinone dihydrate |
| Authors of publication |
Rusak, Paweł; Gdaniec, Maria |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2006 |
| Journal volume |
62 |
| Journal issue |
4 |
| Pages of publication |
o1650 - o1651 |
| a |
7.6277 ± 0.0009 Å |
| b |
11.9718 ± 0.0009 Å |
| c |
17.501 ± 0.0013 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1598.1 ± 0.3 Å3 |
| Cell temperature |
130 ± 2 K |
| Ambient diffraction temperature |
130 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
61 |
| Hermann-Mauguin space group symbol |
P b c a |
| Hall space group symbol |
-P 2ac 2ab |
| Residual factor for all reflections |
0.0492 |
| Residual factor for significantly intense reflections |
0.0321 |
| Weighted residual factors for significantly intense reflections |
0.072 |
| Weighted residual factors for all reflections included in the refinement |
0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.997 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2208649.html
