Information card for entry 2237459
Chemical name |
(<i>E</i>)-2,2'-[3-(4-Fluorophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) |
Formula |
C25 H29 F O4 |
Calculated formula |
C25 H29 F O4 |
SMILES |
Fc1ccc(/C=C/C(C2C(=O)CC(CC=2O)(C)C)C2C(=O)CC(CC=2O)(C)C)cc1 |
Title of publication |
(<i>E</i>)-2,2'-[3-(4-Fluorophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) |
Authors of publication |
Cha, Joo Hwan; Min, Sun-Joon; Cho, Yong Seo; Lee, Jae Kyun; Park, Junghwan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2013 |
Journal volume |
69 |
Journal issue |
3 |
Pages of publication |
o397 |
a |
26.1146 ± 0.0013 Å |
b |
9.6961 ± 0.0004 Å |
c |
20.5638 ± 0.0009 Å |
α |
90° |
β |
121.592 ± 0.0015° |
γ |
90° |
Cell volume |
4435.3 ± 0.4 Å3 |
Cell temperature |
296 K |
Ambient diffraction temperature |
296 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 significantly intense reflections |
0.048 |
Weighted residual factors for all reflections included in the refinement |
0.158 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.089 |
Diffraction radiation wavelength |
0.71075 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/2237459.html