Information card for entry 2233105
Chemical name |
2,2'-[Imidazolidine-1,3-diylbis(methylene)]diphenol |
Formula |
C17 H20 N2 O2 |
Calculated formula |
C17 H20 N2 O2 |
SMILES |
Oc1c(cccc1)CN1CN(CC1)Cc1c(O)cccc1 |
Title of publication |
2,2'-[Imidazolidine-1,3-diylbis(methylene)]diphenol |
Authors of publication |
Rivera, Augusto; Nerio, Luz Stella; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o170 - o171 |
a |
9.6541 ± 0.0006 Å |
b |
9.5198 ± 0.0011 Å |
c |
16.0007 ± 0.0019 Å |
α |
90° |
β |
97.321 ± 0.007° |
γ |
90° |
Cell volume |
1458.6 ± 0.3 Å3 |
Cell temperature |
120 K |
Ambient diffraction temperature |
120 K |
Number of distinct elements |
4 |
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 |
0.0363 |
Residual factor for significantly intense reflections |
0.0323 |
Weighted residual factors for significantly intense reflections |
0.0984 |
Weighted residual factors for all reflections included in the refinement |
0.1015 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.84 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2233105.html