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Information card for entry 7121439
Preview
| Coordinates | 7121439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H15 N O4 S |
|---|---|
| Calculated formula | C17 H15 N O4 S |
| Title of publication | Generation of sulfonated 1-isoindolinones through a multicomponent reaction with the insertion of sulfur dioxide. |
| Authors of publication | Zhang, Jun; Zhang, Feng; Lai, Lifang; Cheng, Jiang; Sun, Jiangtao; Wu, Jie |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 31 |
| Pages of publication | 3891 - 3894 |
| a | 7.083 ± 0.002 Å |
| b | 9.054 ± 0.003 Å |
| c | 13.208 ± 0.004 Å |
| α | 98.259 ± 0.005° |
| β | 99.321 ± 0.005° |
| γ | 112.044 ± 0.004° |
| Cell volume | 755.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1588 |
| Weighted residual factors for all reflections included in the refinement | 0.2147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.21 |
| 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. |
7121439.cif |
| 228425 | 2019-11-17 | cif/ Updating files of 7121439 Original log message: Adding full bibliography for 7121439.cif. |
7121439.cif |
| 207113 | 2018-03-27 | cif/ Adding structures of 7121439 via cif-deposit CGI script. |
7121439.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.