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Information card for entry 2021127
Preview
| Coordinates | 2021127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H31 Cl F N3 O5 |
|---|---|
| Calculated formula | C23 H31 Cl F N3 O5 |
| Title of publication | A new polymorph of the gastrokinetic drug cisapride monohydrate |
| Authors of publication | Zhou, Xin-Bo; Zhu, Jian-Rong; Gu, Jian-Ming; Hu, Xiu-Rong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 6 |
| a | 12.3225 ± 0.0009 Å |
| b | 14.5183 ± 0.0008 Å |
| c | 13.8141 ± 0.0008 Å |
| α | 90° |
| β | 98.361 ± 0.002° |
| γ | 90° |
| Cell volume | 2445.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| 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 | 0.1243 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.1647 |
| Weighted residual factors for all reflections included in the refinement | 0.1981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207902 (current) | 2018-05-22 | cif/ hkl/ Adding structures of 2021127 via cif-deposit CGI script. |
2021127.cif |
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Users of the data should acknowledge the original authors of the
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