Information card for entry 2213408
Chemical name |
(E)-4,4'-(But-2-ene-1,4-diyldioxy)bis(3-methoxybenzaldehyde) |
Formula |
C20 H20 O6 |
Calculated formula |
C20 H20 O6 |
SMILES |
COc1cc(C=O)ccc1OC/C=C/COc1ccc(cc1OC)C=O |
Title of publication |
(<i>E</i>)-4,4'-(But-2-ene-1,4-diyldioxy)bis(3-methoxybenzaldehyde) |
Authors of publication |
Ustabaş, Reşat; Çoruh, Ufuk; Sancak, Kemal; Er, Mustafa; Vázquez-López, Ezequiel M. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
5 |
Pages of publication |
o2452 - o2452 |
a |
4.0639 ± 0.0009 Å |
b |
15.617 ± 0.003 Å |
c |
13.735 ± 0.003 Å |
α |
90° |
β |
92.212 ± 0.004° |
γ |
90° |
Cell volume |
871.1 ± 0.3 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0953 |
Residual factor for significantly intense reflections |
0.0543 |
Weighted residual factors for significantly intense reflections |
0.1254 |
Weighted residual factors for all reflections included in the refinement |
0.1393 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
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/2213408.html