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Information card for entry 1577397
Preview
| Coordinates | 1577397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H27 B S |
|---|---|
| Calculated formula | C25 H27 B S |
| Title of publication | Photo-Induced Terminal Alkyne Insertion into Arene Ring to Synthesize Boron-Doped Polycycles |
| Authors of publication | Li, Hai-Jun; Xi, Biying; Jing, Hui-Xian; Li, Xin; Jia, Hongnan; Fan, Manman; Zhu, Weiguo; Feng, Rui; Hao, Baorui; Li, Shi-Jun; Yu, Bing; Lan, Yu; Du, Jingzhen |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 16.9864 ± 0.0005 Å |
| b | 14.6975 ± 0.0004 Å |
| c | 8.4759 ± 0.0003 Å |
| α | 90° |
| β | 98.901 ± 0.003° |
| γ | 90° |
| Cell volume | 2090.59 ± 0.11 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.057 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.