Information card for entry 1550532
Chemical name |
(10bR,11S)-10b-methyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10b,11-dihydro-6H-isoindolo[2,1-a]indol-6-one |
Formula |
C22 H24 B N O3 |
Calculated formula |
C22 H24 B N O3 |
Title of publication |
Pd-Catalyzed Dearomative Arylborylation of Indoles |
Authors of publication |
Shen, Chong; Zeidan, Nicolas; Wu, Quan; Breuers, Christian; Liu, Ren-Rong; Jia, Yi-Xia; Lautens, Mark |
Journal of publication |
Chemical Science |
Year of publication |
2019 |
a |
9.9629 ± 0.0002 Å |
b |
10.4616 ± 0.0002 Å |
c |
18.5419 ± 0.0003 Å |
α |
90° |
β |
90.923 ± 0.001° |
γ |
90° |
Cell volume |
1932.33 ± 0.06 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
5 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.041 |
Residual factor for significantly intense reflections |
0.0401 |
Weighted residual factors for significantly intense reflections |
0.1036 |
Weighted residual factors for all reflections included in the refinement |
0.1049 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.043 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1550532.html