Information card for entry 7063393
| Formula |
C28 H25 Br O3 |
| Calculated formula |
C28 H25 Br O3 |
| Title of publication |
DABCO-catalyzed mono- and bisallylation of β,γ-unsaturated ketones with Morita–Baylis–Hillman carbonates |
| Authors of publication |
Yue, Guizhou; Du, Biao; Wang, Qiumi; Cheng, Silu; Ma, Lan; Lu, Cuifen; Feng, Juhua; Hu, Haipeng; Li, Sicheng; He, Qiao |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2024 |
| Journal volume |
48 |
| Journal issue |
35 |
| Pages of publication |
15446 - 15451 |
| a |
10.9368 ± 0.0003 Å |
| b |
21.6415 ± 0.0006 Å |
| c |
10.4253 ± 0.0003 Å |
| α |
90° |
| β |
98.771 ± 0.001° |
| γ |
90° |
| Cell volume |
2438.69 ± 0.12 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
4 |
| 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 |
0.0469 |
| Residual factor for significantly intense reflections |
0.0437 |
| Weighted residual factors for significantly intense reflections |
0.1185 |
| Weighted residual factors for all reflections included in the refinement |
0.1212 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.069 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7063393.html
