Information card for entry 7240930
| Formula |
C10 H10 O7 |
| Calculated formula |
C10 H10 O7 |
| SMILES |
O=C(O)CC(=O)O.O=C(O)c1ccc(O)cc1 |
| Title of publication |
Multicomponent supramolecular assembly of p-hydroxybenzoic acid and malonic acid: a deep insight into the formation of selective cocrystal |
| Authors of publication |
Yang, Jinyue; Wang, Na; Tian, Beiqian; Ji, Xiongtao; Hou, Baohong; Wang, Ting; Huang, Xin; Su, Junquan; Yang, Zhanao; Hao, Hongxun |
| Journal of publication |
CrystEngComm |
| Year of publication |
2020 |
| a |
5.7358 ± 0.0002 Å |
| b |
7.1947 ± 0.0002 Å |
| c |
13.6224 ± 0.0004 Å |
| α |
102.176 ± 0.002° |
| β |
92.789 ± 0.002° |
| γ |
108.166 ± 0.003° |
| Cell volume |
518.15 ± 0.03 Å3 |
| Cell temperature |
299.57 ± 0.1 K |
| Ambient diffraction temperature |
299.57 ± 0.1 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 |
0.0797 |
| Residual factor for significantly intense reflections |
0.0476 |
| Weighted residual factors for significantly intense reflections |
0.1101 |
| Weighted residual factors for all reflections included in the refinement |
0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7240930.html
