Information card for entry 2232533
Chemical name |
(2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-fluorophenyl)prop-2-en-1-one |
Formula |
C28 H19 F3 O2 |
Calculated formula |
C28 H19 F3 O2 |
SMILES |
Fc1ccc(c2cc(OC)c(C(=O)/C=C/c3ccc(F)cc3)c(c2)c2ccc(F)cc2)cc1 |
Title of publication |
(2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-fluorophenyl)prop-2-en-1-one |
Authors of publication |
Betz, Richard; Gerber, Thomas; Hosten, Eric; Samshuddin, S.; Narayana, Badiadka; Sarojini, Balladka K. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
11 |
Pages of publication |
o2996 - o2997 |
a |
22.5742 ± 0.0005 Å |
b |
6.8101 ± 0.0001 Å |
c |
13.8475 ± 0.0003 Å |
α |
90° |
β |
98.405 ± 0.001° |
γ |
90° |
Cell volume |
2105.95 ± 0.07 Å3 |
Cell temperature |
200 ± 2 K |
Ambient diffraction temperature |
200 ± 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 |
0.0521 |
Residual factor for significantly intense reflections |
0.0379 |
Weighted residual factors for significantly intense reflections |
0.0938 |
Weighted residual factors for all reflections included in the refinement |
0.1023 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.035 |
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/2232533.html