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Information card for entry 7250421
Preview
| Coordinates | 7250421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H16 N2 O5 S2 |
|---|---|
| Calculated formula | C13 H16 N2 O5 S2 |
| Title of publication | Electrochemical selective incorporation of SO2 to synthesize the fused-ring framework |
| Authors of publication | Lei, Zhi-Long; Tan, Dan; Qin, Jin-Tao; Meng, Xiu-Jin; Cui, Fei-Hu; Tang, Hai-Tao; Pan, Ying-Ming |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| a | 11.2743 ± 0.0001 Å |
| b | 24.3447 ± 0.0003 Å |
| c | 11.0893 ± 0.0002 Å |
| α | 90° |
| β | 96.945 ± 0.001° |
| γ | 90° |
| Cell volume | 3021.34 ± 0.07 Å3 |
| Cell temperature | 295.81 ± 0.1 K |
| Ambient diffraction temperature | 295.81 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0807 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1843 |
| Weighted residual factors for all reflections included in the refinement | 0.1916 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299755 (current) | 2025-05-21 | cif/ Adding structures of 7250420, 7250421 via cif-deposit CGI script. |
7250421.cif |
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