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Information card for entry 1558376
Preview
| Coordinates | 1558376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H58 B2 N2 O4 |
|---|---|
| Calculated formula | C38 H58 B2 N2 O4 |
| Title of publication | BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes |
| Authors of publication | Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 9.0716 ± 0.001 Å |
| b | 9.8412 ± 0.0013 Å |
| c | 11.5149 ± 0.0012 Å |
| α | 76.803 ± 0.01° |
| β | 82.173 ± 0.009° |
| γ | 68.411 ± 0.011° |
| Cell volume | 929.1 ± 0.2 Å3 |
| Cell temperature | 172.99 ± 0.1 K |
| Ambient diffraction temperature | 172.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1119 |
| Residual factor for significantly intense reflections | 0.0803 |
| Weighted residual factors for significantly intense reflections | 0.1902 |
| Weighted residual factors for all reflections included in the refinement | 0.2121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253282 (current) | 2020-06-20 | cif/ Adding structures of 1558370, 1558371, 1558372, 1558373, 1558374, 1558375, 1558376 via cif-deposit CGI script. |
1558376.cif |
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Users of the data should acknowledge the original authors of the
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