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Information card for entry 1573689
Preview
| Coordinates | 1573689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H57 B2 N4 O6 |
|---|---|
| Calculated formula | C60 H58 B2 N4 O6 |
| Title of publication | Photocatalytic [3 + 2]-annulation via sodium tetraarylborate: a fundamental approach for synthesizing 1,4,2-diazaborole analogs |
| Authors of publication | Qin, Hao-Ni; Jiang, Hao-Wen; Zhao, Yi; Qurban, Saira; Wang, Ke-Chun; Xu, Peng-Fei |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 11.04999 ± 0.00019 Å |
| b | 23.491 ± 0.0006 Å |
| c | 22.4123 ± 0.0004 Å |
| α | 90° |
| β | 100.772 ± 0.0017° |
| γ | 90° |
| Cell volume | 5715.2 ± 0.2 Å3 |
| Cell temperature | 286 ± 3 K |
| Ambient diffraction temperature | 286 ± 3 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 | 0.0651 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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 |
|---|---|---|---|
| 297307 (current) | 2025-01-14 | cif/ Adding structures of 1573689 via cif-deposit CGI script. |
1573689.cif |
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Users of the data should acknowledge the original authors of the
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