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Information card for entry 2108523
Preview
| Coordinates | 2108523.cif |
|---|---|
| Structure factors | 2108523.hkl |
| Original paper (by DOI) | HTML |
| Formula | C23 H37 Cl N4 O6 S2 |
|---|---|
| Calculated formula | C23 H37 Cl N4 O6 S2 |
| Title of publication | Solvates of acotiamide hydrochloride: characterization and phase transformation |
| Authors of publication | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| a | 8.0881 ± 0.0004 Å |
| b | 11.276 ± 0.0007 Å |
| c | 16.2993 ± 0.0011 Å |
| α | 98.21 ± 0.005° |
| β | 95.377 ± 0.005° |
| γ | 101.106 ± 0.005° |
| Cell volume | 1432.44 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1456 |
| Weighted residual factors for all reflections included in the refinement | 0.1626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227862 (current) | 2019-11-15 | cif/ hkl/ Adding structures of 2108522, 2108523, 2108524, 2108525, 2108526 via cif-deposit CGI script. |
2108523.cif 2108523.hkl |
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Users of the data should acknowledge the original authors of the
structural data.