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Information card for entry 4124882
Preview
| Coordinates | 4124882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H24 N O P |
|---|---|
| Calculated formula | C16 H24 N O P |
| Title of publication | Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position. |
| Authors of publication | Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 2 |
| Pages of publication | 495 - 498 |
| a | 17.5398 ± 0.0013 Å |
| b | 14.2278 ± 0.001 Å |
| c | 12.7212 ± 0.001 Å |
| α | 90° |
| β | 93.043 ± 0.002° |
| γ | 90° |
| Cell volume | 3170.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1074 |
| Residual factor for significantly intense reflections | 0.092 |
| Weighted residual factors for significantly intense reflections | 0.1987 |
| Weighted residual factors for all reflections included in the refinement | 0.2053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4124882.cif |
| 175681 | 2016-02-04 | cif/ Adding structures of 4124882 via cif-deposit CGI script. |
4124882.cif |
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Users of the data should acknowledge the original authors of the
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