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Information card for entry 7250418
Preview
| Coordinates | 7250418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 Cl N3 O |
|---|---|
| Calculated formula | C17 H16 Cl N3 O |
| Title of publication | Multifunctional 3-Cyanopyridine Compounds: Synthesis Based on Tandem Reaction with 100% Atomic Economy and Their Applications |
| Authors of publication | Cao, Xi-Ying; Li, Zhong-Hao; Cao, Xiaohui; Li, Zong; Pang, Chu-Ming; Zhang, Zu-Qi; Wang, Zhaoyang |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| a | 7.1028 ± 0.0013 Å |
| b | 8.8291 ± 0.0016 Å |
| c | 12.7916 ± 0.0017 Å |
| α | 90° |
| β | 95.609 ± 0.013° |
| γ | 90° |
| Cell volume | 798.3 ± 0.2 Å3 |
| Cell temperature | 297 K |
| Ambient diffraction temperature | 297 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299735 (current) | 2025-05-20 | cif/ Adding structures of 7250417, 7250418 via cif-deposit CGI script. |
7250418.cif |
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Users of the data should acknowledge the original authors of the
structural data.