Information card for entry 7129878
Formula |
C22 H18 O |
Calculated formula |
C22 H18 O |
Title of publication |
Regiospecific constructing m-alkenyl benzaldehyde from β-bromoenal and vinyl borate |
Authors of publication |
Xin, Xiaolan; Liu, Yilin; Zhou, Lu; Li, You; Luo, Han; Liu, Lei; Bai, Ruopeng; Lan, Yu; Li, Baosheng |
Journal of publication |
Chemical Communications |
Year of publication |
2022 |
a |
7.9796 ± 0.0002 Å |
b |
18.2987 ± 0.0004 Å |
c |
22.0157 ± 0.0006 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3214.65 ± 0.14 Å3 |
Cell temperature |
150 ± 0.1 K |
Ambient diffraction temperature |
150 ± 0.1 K |
Number of distinct elements |
3 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0761 |
Residual factor for significantly intense reflections |
0.0492 |
Weighted residual factors for significantly intense reflections |
0.1114 |
Weighted residual factors for all reflections included in the refinement |
0.1241 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.069 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7129878.html