Information card for entry 2232635
Chemical name |
2,2'-(3,3'-Dihexyl-2,2'-bithiophene-5,5'-diyl)bis(4,4,5,5-tetramethyl- 1,3,2-dioxaborolane) |
Formula |
C32 H52 B2 O4 S2 |
Calculated formula |
C32 H52 B2 O4 S2 |
SMILES |
B1(c2cc(c(c3c(cc(B4OC(C(C)(C)O4)(C)C)s3)CCCCCC)s2)CCCCCC)OC(C)(C)C(C)(C)O1 |
Title of publication |
2,2'-(3,3'-Dihexyl-2,2'-bithiophene-5,5'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) |
Authors of publication |
Huang, Lin; Li, Huisheng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
12 |
Pages of publication |
o3512 |
a |
11.5004 ± 0.0011 Å |
b |
13.6992 ± 0.0013 Å |
c |
21.3 ± 0.002 Å |
α |
90° |
β |
91.065 ± 0.002° |
γ |
90° |
Cell volume |
3355.2 ± 0.6 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
5 |
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 |
0.0509 |
Residual factor for significantly intense reflections |
0.039 |
Weighted residual factors for significantly intense reflections |
0.112 |
Weighted residual factors for all reflections included in the refinement |
0.1177 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2232635.html