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Information card for entry 7241621
Preview
| Coordinates | 7241621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H20 Cl N O6 |
|---|---|
| Calculated formula | C17 H20 Cl N O6 |
| Title of publication | Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility |
| Authors of publication | Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 1 |
| Pages of publication | 91 - 99 |
| a | 14.01 ± 0.003 Å |
| b | 17.797 ± 0.004 Å |
| c | 7.0663 ± 0.0014 Å |
| α | 90° |
| β | 91.43 ± 0.03° |
| γ | 90° |
| Cell volume | 1761.3 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0785 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261598 (current) | 2021-02-05 | cif/ Updating files of 7241617, 7241618, 7241619, 7241620, 7241621, 7241622, 7241623 Original log message: Adding full bibliography for 7241617--7241623.cif. |
7241621.cif |
| 259327 | 2020-11-29 | cif/ Adding structures of 7241617, 7241618, 7241619, 7241620, 7241621, 7241622, 7241623 via cif-deposit CGI script. |
7241621.cif |
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Users of the data should acknowledge the original authors of the
structural data.