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Information card for entry 7250420
Preview
| Coordinates | 7250420.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 N2 O2 S |
|---|---|
| Calculated formula | C12 H14 N2 O2 S |
| 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 | 7.5524 ± 0.0004 Å |
| b | 8.9178 ± 0.0005 Å |
| c | 9.358 ± 0.0005 Å |
| α | 83.619 ± 0.004° |
| β | 80.454 ± 0.005° |
| γ | 66.215 ± 0.005° |
| Cell volume | 568.07 ± 0.06 Å3 |
| Cell temperature | 296.74 ± 0.1 K |
| Ambient diffraction temperature | 296.74 ± 0.1 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 | 0.0918 |
| Residual factor for significantly intense reflections | 0.0844 |
| Weighted residual factors for significantly intense reflections | 0.2608 |
| Weighted residual factors for all reflections included in the refinement | 0.2676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299755 (current) | 2025-05-21 | cif/ Adding structures of 7250420, 7250421 via cif-deposit CGI script. |
7250420.cif |
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Users of the data should acknowledge the original authors of the
structural data.