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Information card for entry 7121839
Preview
| Coordinates | 7121839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H16 N2 O2 S |
|---|---|
| Calculated formula | C14 H16 N2 O2 S |
| Title of publication | The triple role of rongalite in aminosulfonylation of aryldiazonium tetrafluoroborates: synthesis of N-aminosulfonamides via a radical coupling reaction. |
| Authors of publication | Wang, Miao; Tang, Bo-Cheng; Wang, Jun-Gang; Xiang, Jia-Chen; Guan, Ao-Yu; Huang, Ping-Ping; Guo, Wu-Yinzheng; Wu, Yan-Dong; Wu, An-Xin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 55 |
| Pages of publication | 7641 - 7644 |
| a | 9.955 ± 0.003 Å |
| b | 5.5629 ± 0.0019 Å |
| c | 12.732 ± 0.004 Å |
| α | 90° |
| β | 92.902 ± 0.009° |
| γ | 90° |
| Cell volume | 704.2 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1102 |
| Residual factor for significantly intense reflections | 0.0975 |
| Weighted residual factors for significantly intense reflections | 0.2489 |
| Weighted residual factors for all reflections included in the refinement | 0.291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.243 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121839.cif |
| 228059 | 2019-11-17 | cif/ Updating files of 7121839 Original log message: Adding full bibliography for 7121839.cif. |
7121839.cif |
| 208368 | 2018-06-14 | cif/ Adding structures of 7121839 via cif-deposit CGI script. |
7121839.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.