Information card for entry 8105137
| Formula |
C13 H19 B Br N O3 |
| Calculated formula |
C13 H19 B Br N O3 |
| Title of publication |
The crystal structure of 3-bromo-6-methoxy-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, C13H19BBrNO3 |
| Authors of publication |
Zhang, Ji-Run; Deng, Hao; Liu, Tong |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2020 |
| Journal volume |
235 |
| Journal issue |
2 |
| Pages of publication |
451 - 452 |
| a |
6.5459 ± 0.0003 Å |
| b |
11.2565 ± 0.0005 Å |
| c |
11.8529 ± 0.0005 Å |
| α |
106.938 ± 0.002° |
| β |
105.657 ± 0.002° |
| γ |
106.628 ± 0.002° |
| Cell volume |
738.71 ± 0.06 Å3 |
| Cell temperature |
173 K |
| Ambient diffraction temperature |
173 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 |
0.0369 |
| Residual factor for significantly intense reflections |
0.0286 |
| Weighted residual factors for significantly intense reflections |
0.0607 |
| Weighted residual factors for all reflections included in the refinement |
0.0641 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.031 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/8105137.html
