Information card for entry 2233349
Chemical name |
(<i>E</i>)-3-(2,4-Dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
Formula |
C20 H22 O6 |
Calculated formula |
C20 H22 O6 |
SMILES |
O=C(/C=C/c1c(OC)cc(OC)cc1)c1cc(OC)c(OC)c(OC)c1 |
Title of publication |
(<i>E</i>)-3-(2,4-Dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
Authors of publication |
Wu, Jianzhang; Qiu, Junyan; Wu, Xiaokai; Yang, Shulin; Liu, Yonggen |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o154 |
a |
8.3111 ± 0.0011 Å |
b |
13.8493 ± 0.0017 Å |
c |
15.887 ± 0.002 Å |
α |
90° |
β |
101.588 ± 0.002° |
γ |
90° |
Cell volume |
1791.4 ± 0.4 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0675 |
Residual factor for significantly intense reflections |
0.0462 |
Weighted residual factors for significantly intense reflections |
0.1164 |
Weighted residual factors for all reflections included in the refinement |
0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.969 |
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/2233349.html