Information card for entry 1567089
Chemical name |
(Z)-1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-one |
Formula |
C17 H23 B O3 |
Calculated formula |
C17 H23 B O3 |
Title of publication |
Cu-Catalyzed Carboboration of Acetylene with Michael Acceptors |
Authors of publication |
Cheng, Tairan; Liu, Boxiang; Wu, Rui; Zhu, Shifa |
Journal of publication |
Chemical Science |
Year of publication |
2022 |
a |
21.7236 ± 0.0019 Å |
b |
13.8308 ± 0.0011 Å |
c |
10.9428 ± 0.0008 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3287.8 ± 0.5 Å3 |
Cell temperature |
149.99 ± 0.1 K |
Ambient diffraction temperature |
149.99 ± 0.1 K |
Number of distinct elements |
4 |
Space group number |
56 |
Hermann-Mauguin space group symbol |
P c c n |
Hall space group symbol |
-P 2ab 2ac |
Residual factor for all reflections |
0.0762 |
Residual factor for significantly intense reflections |
0.0543 |
Weighted residual factors for significantly intense reflections |
0.1258 |
Weighted residual factors for all reflections included in the refinement |
0.1415 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/1567089.html