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Information card for entry 7155402
Preview
| Coordinates | 7155402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H11 N O4 S |
|---|---|
| Calculated formula | C15 H11 N O4 S |
| SMILES | S1(=O)(=O)N(C(=O)c2c1cccc2)C(=O)c1ccc(cc1)C |
| Title of publication | Rhodium-catalyzed C-H functionalization with N-acylsaccharins. |
| Authors of publication | Wu, Hongxiang; Liu, Tingting; Cui, Ming; Li, Yue; Jian, Junsheng; Wang, Hui; Zeng, Zhuo |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2017 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 536 - 540 |
| a | 10.8402 ± 0.0018 Å |
| b | 10.9776 ± 0.0018 Å |
| c | 11.4168 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1358.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155402.cif |
| 191735 | 2017-02-04 | cif/ Updating files of 7155402 Original log message: Adding full bibliography for 7155402.cif. |
7155402.cif |
| 188833 | 2016-12-02 | cif/ Adding structures of 7155402 via cif-deposit CGI script. |
7155402.cif |
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Users of the data should acknowledge the original authors of the
structural data.