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Information card for entry 7160607
Preview
| Coordinates | 7160607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 Br N2 O2 |
|---|---|
| Calculated formula | C26 H21 Br N2 O2 |
| Title of publication | Stereoselective Synthesis of Pyrano[2,3-c]pyrazolone Derivatives via Light-induced NHC Catalyzed [4+2] Annulations |
| Authors of publication | Miao, Siyan; Li, Xian; Chen, Yao; Yu, Chenxia; Wang, Jiaomei; Yao, Changsheng; Zhang, Kai |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.932 ± 0.004 Å |
| b | 14.231 ± 0.007 Å |
| c | 9.581 ± 0.005 Å |
| α | 90° |
| β | 116.044 ± 0.006° |
| γ | 90° |
| Cell volume | 1094.2 ± 0.9 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 | 0.0422 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300182 (current) | 2025-06-25 | cif/ Adding structures of 7160607 via cif-deposit CGI script. |
7160607.cif |
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Users of the data should acknowledge the original authors of the
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