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Information card for entry 7250348
Preview
| Coordinates | 7250348.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 Cl2 N2 O2 S |
|---|---|
| Calculated formula | C19 H23 Cl2 N2 O2 S |
| Title of publication | Mechanochemical Synthesis and 35Cl NMR Crystallography of Ionic Cocrystals of Phenothiazine Drugs |
| Authors of publication | Dowdell, Zachary Thomas; Peach, Austin A.; Purdie, John P.; Holmes, Sean Thomas; Watanabe, Lara K.; Rawson, Jeremy Michael; Schurko, Rob |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 26.8901 ± 0.0013 Å |
| b | 7.5402 ± 0.0004 Å |
| c | 21.1999 ± 0.0009 Å |
| α | 90° |
| β | 106.365 ± 0.002° |
| γ | 90° |
| Cell volume | 4124.3 ± 0.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.0765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299451 (current) | 2025-04-30 | cif/ Adding structures of 7250347, 7250348 via cif-deposit CGI script. |
7250348.cif |
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