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Information card for entry 7160666
Preview
| Coordinates | 7160666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H20 N2 O S |
|---|---|
| Calculated formula | C24 H20 N2 O S |
| Title of publication | Iodine-mediated synthesis of indole-fused benzothiazepinones through intramolecular C2-amidation of amide-tethered C3-sulfenylindoles |
| Authors of publication | Singh, Gargi; Arockiaraj, Mariyaraj; Rajeshkumar, Venkatachalam |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.1153 ± 0.0013 Å |
| b | 13.8051 ± 0.0016 Å |
| c | 16.4582 ± 0.0019 Å |
| α | 90° |
| β | 104.766 ± 0.005° |
| γ | 90° |
| Cell volume | 2002.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0909 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1678 |
| Weighted residual factors for all reflections included in the refinement | 0.2175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.592 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301698 (current) | 2025-08-09 | cif/ Adding structures of 7160666 via cif-deposit CGI script. |
7160666.cif |
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Users of the data should acknowledge the original authors of the
structural data.