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Information card for entry 1550774
Preview
| Coordinates | 1550774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H12 B N O5 |
|---|---|
| Calculated formula | C9 H12 B N O5 |
| Title of publication | A Modular and Concise Approach to MIDA Acylboronates via Chemoselective Oxidation of Unsymmetrical Geminal Diborylalkanes: Unlocking Access to a Novel Class of Acylborons |
| Authors of publication | Lin, Shengjia; Wang, Lucia; Aminoleslami, Negin; Lao, Yanting; Yagel, Chelsea; Sharma, Abhishek |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.3672 ± 0.0003 Å |
| b | 10.8231 ± 0.0003 Å |
| c | 10.9398 ± 0.0004 Å |
| α | 78.441 ± 0.003° |
| β | 85.514 ± 0.003° |
| γ | 63.232 ± 0.003° |
| Cell volume | 1073.63 ± 0.07 Å3 |
| Cell temperature | 99.9 ± 0.6 K |
| Ambient diffraction temperature | 99.9 ± 0.6 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 | 0.0455 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1145 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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 |
|---|---|---|---|
| 214277 (current) | 2019-03-22 | cif/ Adding structures of 1550773, 1550774, 1550775 via cif-deposit CGI script. |
1550774.cif |
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Users of the data should acknowledge the original authors of the
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