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Information card for entry 8107232
Preview
| Coordinates | 8107232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H15 N3 O6 |
|---|---|
| Calculated formula | C14 H15 N3 O6 |
| Title of publication | The crystal structure of the cocrystal 4-hydroxy-3,5-dimethoxybenzoic acid–pyrazine-2-carboxamide(1/1), C14H15N3O6 |
| Authors of publication | Jiang, Cheng-Jun; Xia, Ying-Fan; Xie, Yan-Song |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 845 - 847 |
| a | 30.162 ± 0.0013 Å |
| b | 3.8559 ± 0.0002 Å |
| c | 27.3897 ± 0.0013 Å |
| α | 90° |
| β | 117.61 ± 0.004° |
| γ | 90° |
| Cell volume | 2822.7 ± 0.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| 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 | 0.0351 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283925 (current) | 2023-05-22 | cif/ Adding structures of 8107232 via cif-deposit CGI script. |
8107232.cif |
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Users of the data should acknowledge the original authors of the
structural data.