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Information card for entry 1571749
Preview
| Coordinates | 1571749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 123 |
|---|---|
| Formula | C21 H26 B10 N2 O3 |
| Calculated formula | C21 H26 B10 N2 O3 |
| Title of publication | A Pd-catalyzed route to carborane-fused boron heterocycles. |
| Authors of publication | Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 27 |
| Pages of publication | 10392 - 10401 |
| a | 10.4497 ± 0.0003 Å |
| b | 13.3728 ± 0.0004 Å |
| c | 17.3909 ± 0.0005 Å |
| α | 90° |
| β | 92.063 ± 0.002° |
| γ | 90° |
| Cell volume | 2428.66 ± 0.12 Å3 |
| Cell temperature | 302 K |
| Ambient diffraction temperature | 302 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0528 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1165 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293754 (current) | 2024-08-05 | cif/ Updating files of 1571739, 1571740, 1571741, 1571742, 1571743, 1571744, 1571745, 1571746, 1571747, 1571748, 1571749 Original log message: Adding full bibliography for 1571739--1571749.cif. |
1571749.cif |
| 292134 | 2024-06-01 | cif/ Adding structures of 1571739, 1571740, 1571741, 1571742, 1571743, 1571744, 1571745, 1571746, 1571747, 1571748, 1571749 via cif-deposit CGI script. |
1571749.cif |
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Users of the data should acknowledge the original authors of the
structural data.