Information card for entry 2005733
| Chemical name |
2,2'-[2,2-dimethyl-1,3-propanediylbis(nitrilophenylmethylidyne)]diphenol |
| Formula |
C31 H30 N2 O2 |
| Calculated formula |
C31 H30 N2 O2 |
| SMILES |
Oc1ccccc1C(=N\CC(C)(C)C/N=C(c1ccccc1)/c1ccccc1O)\c1ccccc1 |
| Title of publication |
Two Schiff Base Ligands Derived from 2,2-Dimethyl-1,3-propanediamine |
| Authors of publication |
Corden, J. P.; Errington, W.; Moore, P.; Phillips, P. R.; Wallbridge, M. G. H. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1996 |
| Journal volume |
52 |
| Journal issue |
12 |
| Pages of publication |
3199 - 3202 |
| a |
10.261 ± 0.009 Å |
| b |
10.786 ± 0.006 Å |
| c |
12.425 ± 0.005 Å |
| α |
99.39 ± 0.06° |
| β |
110.22 ± 0.05° |
| γ |
99.35 ± 0.05° |
| Cell volume |
1237 ± 1.5 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 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 |
0.0676 |
| Residual factor for significantly intense reflections |
0.0514 |
| Weighted residual factors for all reflections |
0.1402 |
| Weighted residual factors for significantly intense reflections |
0.1259 |
| Goodness-of-fit parameter for all reflections |
0.95 |
| Goodness-of-fit parameter for significantly intense reflections |
1.08 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/2005733.html
