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Information card for entry 7160499
Preview
| Coordinates | 7160499.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 N2 O5 |
|---|---|
| Calculated formula | C12 H8 N2 O5 |
| Title of publication | K2CO3/TFAA-Activated Diarylation of α-Sulfonyl o-Hydroxyacetophenones with o-Nitroaryl Disulfides to Construct Sulfonyl Bis-o-nitroaryl Acetophenones |
| Authors of publication | Chang, Meng-Yang; Hsueh, Nai-Chen |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.1658 ± 0.0001 Å |
| b | 20.4831 ± 0.0004 Å |
| c | 7.7993 ± 0.0002 Å |
| α | 90° |
| β | 92.643 ± 0.002° |
| γ | 90° |
| Cell volume | 1143.55 ± 0.04 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299286 (current) | 2025-04-12 | cif/ Adding structures of 7160498, 7160499, 7160500, 7160501, 7160502, 7160503 via cif-deposit CGI script. |
7160499.cif |
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Users of the data should acknowledge the original authors of the
structural data.