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Information card for entry 7250417
Preview
| Coordinates | 7250417.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H19 N3 O |
|---|---|
| Calculated formula | C18 H19 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 | 12.8541 ± 0.0007 Å |
| b | 8.4683 ± 0.0005 Å |
| c | 15.3887 ± 0.0009 Å |
| α | 90° |
| β | 110.066 ± 0.006° |
| γ | 90° |
| Cell volume | 1573.41 ± 0.17 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| 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 | 0.0863 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1588 |
| Weighted residual factors for all reflections included in the refinement | 0.1742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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 |
|---|---|---|---|
| 299735 (current) | 2025-05-20 | cif/ Adding structures of 7250417, 7250418 via cif-deposit CGI script. |
7250417.cif |
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Users of the data should acknowledge the original authors of the
structural data.