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Information card for entry 7232756
Preview
| Coordinates | 7232756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | paracetamol:methanol solvate, (1:1) |
|---|---|
| Chemical name | acetaminophen:methanol solvate |
| Formula | C9 H13 N O3 |
| Calculated formula | C9 H13 N O3 |
| Title of publication | Antisolvent addition at extreme conditions |
| Authors of publication | Ward, Martin R.; Oswald, Iain D. H. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 30 |
| Pages of publication | 4437 |
| a | 12.9717 ± 0.0015 Å |
| b | 17.1881 ± 0.0009 Å |
| c | 13.0437 ± 0.0019 Å |
| α | 90° |
| β | 116.032 ± 0.008° |
| γ | 90° |
| Cell volume | 2613.2 ± 0.5 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| 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 | 0.1947 |
| Residual factor for significantly intense reflections | 0.1291 |
| Weighted residual factors for significantly intense reflections | 0.3349 |
| Weighted residual factors for all reflections included in the refinement | 0.4172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.552 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223671 (current) | 2019-11-07 | cif/ Updating files of 7232755, 7232756, 7232757, 7232758, 7232759 Original log message: Adding full bibliography for 7232755--7232759.cif. |
7232756.cif |
| 215025 | 2019-05-10 | cif/ Adding structures of 7232755, 7232756, 7232757, 7232758, 7232759 via cif-deposit CGI script. |
7232756.cif |
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Users of the data should acknowledge the original authors of the
structural data.