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Information card for entry 2020732
Preview
| Coordinates | 2020732.cif |
|---|---|
| Structure factors | 2020732.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione toluene hemisolvate |
|---|---|
| Formula | C25.5 H28 N2 O7 S |
| Calculated formula | C25.5 H28 N2 O7 S |
| Title of publication | The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs |
| Authors of publication | Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 4 |
| a | 12.98 ± 0.003 Å |
| b | 12.98 ± 0.003 Å |
| c | 29.734 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5009.6 ± 1.9 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.1815 |
| Residual factor for significantly intense reflections | 0.0985 |
| Weighted residual factors for significantly intense reflections | 0.1824 |
| Weighted residual factors for all reflections included in the refinement | 0.2244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194035 (current) | 2017-03-07 | cif/ hkl/ Adding structures of 2020732, 2020733, 2020734 via cif-deposit CGI script. |
2020732.cif 2020732.hkl |
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Users of the data should acknowledge the original authors of the
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