Information card for entry 1543143
Chemical name |
4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane |
Formula |
C19 H29 B O3 |
Calculated formula |
C19 H29 B O3 |
SMILES |
B1(/C(=C/Oc2cc(ccc2)C)CCCC)OC(C(O1)(C)C)(C)C |
Title of publication |
4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane |
Authors of publication |
Li, Kai-Xiao; Wang, Xiao-Juan |
Journal of publication |
IUCrData |
Year of publication |
2016 |
Journal volume |
1 |
Journal issue |
4 |
Pages of publication |
x160611 |
a |
10.0293 ± 0.0009 Å |
b |
18.123 ± 0.0017 Å |
c |
10.7973 ± 0.001 Å |
α |
90° |
β |
97.475 ± 0.006° |
γ |
90° |
Cell volume |
1945.8 ± 0.3 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 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 |
0.0882 |
Residual factor for significantly intense reflections |
0.0517 |
Weighted residual factors for significantly intense reflections |
0.1473 |
Weighted residual factors for all reflections included in the refinement |
0.1681 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.094 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/1543143.html