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Information card for entry 7156033
Preview
| Coordinates | 7156033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H19 F N2 O3 S2 |
|---|---|
| Calculated formula | C23 H19 F N2 O3 S2 |
| SMILES | S(c1c2ccccc2n(c1N(S(=O)(=O)c1ccc(F)cc1)C(=O)C)C)c1ccccc1 |
| Title of publication | Convenient Synthesis of 2-Amino-3-(arylthio)indoles via Rh-Catalyzed Reaction of 3-Diazoindol-2-imines with Thioesters |
| Authors of publication | Ma, Fanghui; Qian, Jing; Lu, Ping; Wang, Yanguang |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2017 |
| a | 14.9465 ± 0.0016 Å |
| b | 9.956 ± 0.0008 Å |
| c | 14.9447 ± 0.0012 Å |
| α | 90° |
| β | 105.076 ± 0.01° |
| γ | 90° |
| Cell volume | 2147.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 6 |
| 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204211 (current) | 2017-12-13 | cif/ Adding structures of 7156032, 7156033 via cif-deposit CGI script. |
7156033.cif |
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Users of the data should acknowledge the original authors of the
structural data.