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Information card for entry 7129592
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| Coordinates | 7129592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C176 H174 B8 Cl8 N16 O8 Si8 |
|---|---|
| Calculated formula | C176 H174 B8 Cl8 N16 O8 Si8 |
| Title of publication | Synthesis of isoxazoloazaborines via gold(i)-catalyzed propargyl aza-Claisen rearrangement/borylative cyclization cascade |
| Authors of publication | Tsuda, Masato; Morita, Taiki; Nakamura, Hiroyuki |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 29.3806 ± 0.001 Å |
| b | 23.8849 ± 0.0006 Å |
| c | 25.2367 ± 0.0009 Å |
| α | 90° |
| β | 106.467 ± 0.004° |
| γ | 90° |
| Cell volume | 16983.5 ± 1 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1005 |
| Residual factor for significantly intense reflections | 0.0693 |
| Weighted residual factors for significantly intense reflections | 0.1733 |
| Weighted residual factors for all reflections included in the refinement | 0.1901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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 |
|---|---|---|---|
| 272136 (current) | 2022-01-20 | cif/ Adding structures of 7129590, 7129591, 7129592 via cif-deposit CGI script. |
7129592.cif |
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Users of the data should acknowledge the original authors of the
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