Information card for entry 2221245
Chemical name |
6,6'-diethoxy-2,2'-[propane-1,2-diylbis(nitrilomethylidyne)]diphenol |
Formula |
C21 H26 N2 O4 |
Calculated formula |
C21 H26 N2 O4 |
SMILES |
Oc1c(OCC)cccc1/C=N/C(C/N=C/c1cccc(OCC)c1O)C |
Title of publication |
A second tricilinc polymorph of 6,6'-diethoxy-2,2'-[propane-1,2-diylbis(nitrilomethylidyne)]diphenol |
Authors of publication |
Fun, Hoong-Kun; Kia, Reza; Kargar, Hadi; Jamshidvand, Arezoo |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
4 |
Pages of publication |
o722 - o723 |
a |
8.9729 ± 0.0002 Å |
b |
10.7008 ± 0.0004 Å |
c |
11.3633 ± 0.0002 Å |
α |
107.432 ± 0.001° |
β |
108.487 ± 0.001° |
γ |
95.979 ± 0.001° |
Cell volume |
963.03 ± 0.05 Å3 |
Cell temperature |
100 K |
Ambient diffraction temperature |
100 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0522 |
Residual factor for significantly intense reflections |
0.0447 |
Weighted residual factors for significantly intense reflections |
0.1249 |
Weighted residual factors for all reflections included in the refinement |
0.1357 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.045 |
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/2221245.html