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Information card for entry 7160698
Preview
| Coordinates | 7160698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Cl N O2 |
|---|---|
| Calculated formula | C18 H20 Cl N O2 |
| Title of publication | Oxidative Functionalization of Cyclopentane-1,3 Diones: Cell Imaging Studies of Diphenothiazine Derivatives. |
| Authors of publication | Dubey, Sapana; Trivedi, Pragya; Sau, Madan; Mandal, Sukanya; Roy, Shreya; Rout, Subhrakanta; Das, Subhojit; Sahoo, Gokarneswar; Bonne, Damien; Das, Tapas |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.0144 ± 0.0005 Å |
| b | 18.2455 ± 0.0009 Å |
| c | 10.1329 ± 0.0005 Å |
| α | 90° |
| β | 94.613 ± 0.004° |
| γ | 90° |
| Cell volume | 1661.18 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0747 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301859 (current) | 2025-08-22 | cif/ Adding structures of 7160697, 7160698 via cif-deposit CGI script. |
7160698.cif |
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Users of the data should acknowledge the original authors of the
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