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Information card for entry 7134469
Preview
| Coordinates | 7134469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(di-tert-butylphosphaneyl)-3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
|---|---|
| Formula | C23 H37 B N O2 P |
| Calculated formula | C23 H37 B N O2 P |
| Title of publication | Dispersion-controlled C6-selective C–H borylation of indoles |
| Authors of publication | Zheng, Tianyu; Jiang, Hao; Ma, Jiawei; Chen, Haochi; Shi, Zhuangzhi; Liang, Yong |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 7.7665 ± 0.0003 Å |
| b | 11.5656 ± 0.0006 Å |
| c | 13.5181 ± 0.0006 Å |
| α | 80.546 ± 0.002° |
| β | 88.085 ± 0.002° |
| γ | 87.299 ± 0.002° |
| Cell volume | 1196.02 ± 0.09 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299445 (current) | 2025-04-30 | cif/ Adding structures of 7134469, 7134470 via cif-deposit CGI script. |
7134469.cif |
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