Information card for entry 2229224
Common name |
1,2-Bis(2-methoxy-6-formylphenoxy)ethane |
Chemical name |
3,3'-Dimethoxy-2,2'-(ethane-1,2-diyldioxy)dibenzaldehyde |
Formula |
C18 H18 O6 |
Calculated formula |
C18 H18 O6 |
SMILES |
COc1cccc(c1OCCOc1c(cccc1C=O)OC)C=O |
Title of publication |
1,2-Bis(2-methoxy-6-formylphenoxy)ethane |
Authors of publication |
Li, Hongqi; Cai, Li; Chen, Dongling; Li, Jinxing; Chen, Yijun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
2 |
Pages of publication |
o306 |
a |
4.161 ± 0.003 Å |
b |
30.155 ± 0.018 Å |
c |
12.934 ± 0.008 Å |
α |
90° |
β |
96.817 ± 0.007° |
γ |
90° |
Cell volume |
1611.4 ± 1.8 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 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 |
0.1274 |
Residual factor for significantly intense reflections |
0.0598 |
Weighted residual factors for significantly intense reflections |
0.1164 |
Weighted residual factors for all reflections included in the refinement |
0.1406 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.996 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2229224.html