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Information card for entry 7242217
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| Coordinates | 7242217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | p-cresol_oxalic acid |
|---|---|
| Formula | C8 H9 O3 |
| Calculated formula | C8 H9 O3 |
| Title of publication | A selective cocrystallization separation method based on non-covalent interactions and its application |
| Authors of publication | Wang, Na; Wang, Jingkang; Huang, Xin; Wang, Ting; Li, Xin; Yang, Jinyue; Bao, Ying; Yin, Qiuxiang; Hao, Hongxun |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 7 |
| Pages of publication | 1550 - 1554 |
| a | 17.4483 ± 0.0006 Å |
| b | 6.0743 ± 0.0002 Å |
| c | 7.2533 ± 0.0002 Å |
| α | 90° |
| β | 96.229 ± 0.003° |
| γ | 90° |
| Cell volume | 764.21 ± 0.04 Å3 |
| Cell temperature | 160 ± 0.1 K |
| Ambient diffraction temperature | 160 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0531 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262592 (current) | 2021-03-05 | cif/ Updating files of 7242216, 7242217 Original log message: Adding full bibliography for 7242216--7242217.cif. |
7242217.cif |
| 261366 | 2021-02-02 | cif/ Adding structures of 7242216, 7242217 via cif-deposit CGI script. |
7242217.cif |
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Users of the data should acknowledge the original authors of the
structural data.