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Information card for entry 7160582
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| Coordinates | 7160582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H17 N O3 |
|---|---|
| Calculated formula | C20 H17 N O3 |
| Title of publication | Stereoselective one-pot construction of N-substituted 3-alkylideneoxindoles through Pd(II)-catalyzed direct addition of aromatic C-H to alkyne and Heck reaction sequence |
| Authors of publication | Hong, Kai; Zhang, Tengfei; Li, Qing; Li, Xue; Sun, Zhonghui; Zhao, Gongyuan; Peng, Jinsong; Chen, Chunxia |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 10.883 ± 0.004 Å |
| b | 6.841 ± 0.002 Å |
| c | 22.542 ± 0.007 Å |
| α | 90° |
| β | 99.404 ± 0.011° |
| γ | 90° |
| Cell volume | 1655.7 ± 0.9 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.1196 |
| Residual factor for significantly intense reflections | 0.0845 |
| Weighted residual factors for significantly intense reflections | 0.2381 |
| Weighted residual factors for all reflections included in the refinement | 0.2783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299989 (current) | 2025-06-06 | cif/ Adding structures of 7160582 via cif-deposit CGI script. |
7160582.cif |
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Users of the data should acknowledge the original authors of the
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