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Information card for entry 7160592
Preview
| Coordinates | 7160592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 |
|---|---|
| Calculated formula | C24 H18 |
| Title of publication | Iron-Catalyzed Regioselective Reductive Cyclotrimerization of Alkynyl Bromides to 1,2,4-Substituted Arenes and D3-Arenes |
| Authors of publication | Zhang, Xin; Luo, Yuhang; Zhao, Xinjie; Xiao, Tiebo; Jiang, Yubo; Qin, Guiping; Wei, Yubo |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 10.3109 ± 0.0006 Å |
| b | 17.7703 ± 0.0011 Å |
| c | 18.358 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3363.7 ± 0.3 Å3 |
| Cell temperature | 142 ± 50 K |
| Ambient diffraction temperature | 142 ± 50 K |
| Number of distinct elements | 2 |
| 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 | 0.0687 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1621 |
| Weighted residual factors for all reflections included in the refinement | 0.1777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300065 (current) | 2025-06-13 | cif/ Adding structures of 7160592 via cif-deposit CGI script. |
7160592.cif |
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Users of the data should acknowledge the original authors of the
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