Information card for entry 2206705
Chemical name |
3,3,4,4,5,5-Hexafluoro-1,2-bis{3-methyl-5-[3-(trifluoromethyl)phenyl}- 2-thienyl]cyclopent-1-ene |
Formula |
C29 H16 F12 S2 |
Calculated formula |
C29 H16 F12 S2 |
SMILES |
Cc1cc(sc1C1=C(c2sc(cc2C)c2cccc(c2)C(F)(F)F)C(C(C1(F)F)(F)F)(F)F)c1cccc(c1)C(F)(F)F |
Title of publication |
3,3,4,4,5,5-Hexafluoro-1,2-bis{3-methyl-5-[3-(trifluoromethyl)phenyl]-2-thienyl}cyclopent-1-ene |
Authors of publication |
Pu, Shou-Zhi; Liu, Gang; Yan, Liu-Shui |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
9 |
Pages of publication |
o2856 - o2858 |
a |
20.011 ± 0.002 Å |
b |
8.6936 ± 0.0008 Å |
c |
16.3481 ± 0.0016 Å |
α |
90° |
β |
103.498 ± 0.008° |
γ |
90° |
Cell volume |
2765.5 ± 0.5 Å3 |
Cell temperature |
295 ± 2 K |
Number of distinct elements |
4 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0895 |
Residual factor for significantly intense reflections |
0.0754 |
Weighted residual factors for significantly intense reflections |
0.1383 |
Weighted residual factors for all reflections included in the refinement |
0.1451 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.007 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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