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Information card for entry 1550532
Preview
| Coordinates | 1550532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (10bR,11S)-10b-methyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10b,11-dihydro-6H-isoindolo[2,1-a]indol-6-one |
|---|---|
| Formula | C22 H24 B N O3 |
| Calculated formula | C22 H24 B N O3 |
| Title of publication | Pd-Catalyzed Dearomative Arylborylation of Indoles |
| Authors of publication | Shen, Chong; Zeidan, Nicolas; Wu, Quan; Breuers, Christian; Liu, Ren-Rong; Jia, Yi-Xia; Lautens, Mark |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 9.9629 ± 0.0002 Å |
| b | 10.4616 ± 0.0002 Å |
| c | 18.5419 ± 0.0003 Å |
| α | 90° |
| β | 90.923 ± 0.001° |
| γ | 90° |
| Cell volume | 1932.33 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213332 (current) | 2019-01-26 | cif/ Adding structures of 1550532 via cif-deposit CGI script. |
1550532.cif |
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