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Information card for entry 7131785
Preview
| Coordinates | 7131785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H19 N O2 S |
|---|---|
| Calculated formula | C17 H19 N O2 S |
| Title of publication | Catalyst-controlled regiodivergent C-H bond alkenylation of 2-pyridylthiophenes. |
| Authors of publication | Zhang, Qiang; Zhou, Pengfei; Zhao, Yaokun; Liu, Yeran; Liang, Taoyuan; Jiang, Jun; Zhang, Zhuan |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2023 |
| a | 14.4622 ± 0.0013 Å |
| b | 7.9861 ± 0.0009 Å |
| c | 27.635 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3191.7 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1215 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.1413 |
| Weighted residual factors for all reflections included in the refinement | 0.1606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284558 (current) | 2023-06-29 | cif/ Adding structures of 7131785 via cif-deposit CGI script. |
7131785.cif |
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