Information card for entry 2233133
Chemical name |
9-[(<i>E</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]- 9<i>H</i>-carbazole |
Formula |
C20 H22 B N O2 |
Calculated formula |
C20 H22 B N O2 |
SMILES |
O1C(C(OB1/C=C/n1c2ccccc2c2ccccc12)(C)C)(C)C |
Title of publication |
9-[(<i>E</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9<i>H</i>-carbazole |
Authors of publication |
Hatayama, Yuki; Okuno, Tsunehisa |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o84 |
a |
11.616 ± 0.003 Å |
b |
12.962 ± 0.003 Å |
c |
12.99 ± 0.003 Å |
α |
83.62 ± 0.011° |
β |
85.632 ± 0.011° |
γ |
64.647 ± 0.006° |
Cell volume |
1755.6 ± 0.7 Å3 |
Cell temperature |
93 K |
Ambient diffraction temperature |
93 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for significantly intense reflections |
0.0525 |
Weighted residual factors for all reflections included in the refinement |
0.1365 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.006 |
Diffraction radiation wavelength |
0.71075 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2233133.html