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Information card for entry 7246240
Preview
| Coordinates | 7246240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H23 Cl2 N O6 |
|---|---|
| Calculated formula | C21 H23 Cl2 N O6 |
| Title of publication | Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination |
| Authors of publication | Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 11 |
| Pages of publication | 1693 - 1702 |
| a | 17.628 ± 0.002 Å |
| b | 5.4719 ± 0.0007 Å |
| c | 21.601 ± 0.003 Å |
| α | 90° |
| β | 96.194 ± 0.002° |
| γ | 90° |
| Cell volume | 2071.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282327 (current) | 2023-04-04 | cif/ Updating files of 7246240, 7246241 Original log message: Adding full bibliography for 7246240--7246241.cif. |
7246240.cif |
| 280971 | 2023-02-20 | cif/ Adding structures of 7246240, 7246241 via cif-deposit CGI script. |
7246240.cif |
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Users of the data should acknowledge the original authors of the
structural data.