Information card for entry 2212424
Chemical name |
(S,S)-6,6'-Dimethyl-2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenol benzene solvate |
Formula |
C28 H32 N2 O2 |
Calculated formula |
C28 H32 N2 O2 |
SMILES |
[C@@H]1(CCCC[C@@H]1/N=C/c1cccc(c1O)C)/N=C/c1cccc(c1O)C.c1ccccc1 |
Title of publication |
(<i>S</i>,<i>S</i>)-6,6'-Dimethyl-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenol benzene solvate |
Authors of publication |
Yang, Ming-Hua; Yan, Guo-Bing; Zheng, Fun-Fa |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
2 |
Pages of publication |
o824 - o826 |
a |
8.276 ± 0.0018 Å |
b |
26.636 ± 0.006 Å |
c |
12.25 ± 0.003 Å |
α |
90° |
β |
105.25 ± 0.003° |
γ |
90° |
Cell volume |
2605.3 ± 1 Å3 |
Cell temperature |
291 ± 2 K |
Ambient diffraction temperature |
291 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.078 |
Residual factor for significantly intense reflections |
0.057 |
Weighted residual factors for significantly intense reflections |
0.144 |
Weighted residual factors for all reflections included in the refinement |
0.151 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.06 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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