Information card for entry 2234642
Chemical name |
(<i>R</i>,<i>R</i>)-4,4'-dibromo-2,2'- [cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol |
Formula |
C20 H20 Br2 N2 O2 |
Calculated formula |
C20 H20 Br2 N2 O2 |
SMILES |
Brc1ccc(O)c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2c(O)ccc(Br)c2)c1 |
Title of publication |
A monoclinic polymorph of (<i>R</i>,<i>R</i>)-4,4'-dibromo-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol |
Authors of publication |
Ha, Kwang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
5 |
Pages of publication |
o1449 |
a |
5.9082 ± 0.0005 Å |
b |
18.8626 ± 0.0015 Å |
c |
9.0088 ± 0.0007 Å |
α |
90° |
β |
91.867 ± 0.002° |
γ |
90° |
Cell volume |
1003.44 ± 0.14 Å3 |
Cell temperature |
200 ± 2 K |
Ambient diffraction temperature |
200 ± 2 K |
Number of distinct elements |
5 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0765 |
Residual factor for significantly intense reflections |
0.039 |
Weighted residual factors for significantly intense reflections |
0.0814 |
Weighted residual factors for all reflections included in the refinement |
0.1083 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.025 |
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/2234642.html