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Information card for entry 7233984
Preview
| Coordinates | 7233984.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 O7 |
|---|---|
| Calculated formula | C12 H14 O7 |
| Title of publication | Thermodynamics and molecular mechanism of the formation of the cocrystals of p-hydroxybenzoic acid and glutaric acid |
| Authors of publication | Yang, Jinyue; Hong, Baohong; Wang, Na; Li, Xin; Huang, Xin; Bao, Ying; Xie, Chuang; Hao, Hongxun |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 42 |
| Pages of publication | 6374 |
| a | 8.6867 ± 0.0004 Å |
| b | 15.1019 ± 0.0006 Å |
| c | 9.9125 ± 0.0005 Å |
| α | 90° |
| β | 105.478 ± 0.005° |
| γ | 90° |
| Cell volume | 1253.22 ± 0.1 Å3 |
| Cell temperature | 159.99 ± 0.1 K |
| Ambient diffraction temperature | 159.99 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0723 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223556 (current) | 2019-11-07 | cif/ Updating files of 7233984 Original log message: Adding full bibliography for 7233984.cif. |
7233984.cif |
| 218563 | 2019-09-20 | cif/ Adding structures of 7233984 via cif-deposit CGI script. |
7233984.cif |
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Users of the data should acknowledge the original authors of the
structural data.