Information card for entry 2231967
Chemical name |
2,2'-[1,5-Bis(4-aminophenyl)-1,5- dihydrobenzo[1,2-<i>d</i>;4,5-<i>d</i>']diimidazole-2,6-diyl]diphenol |
Formula |
C32 H24 N6 O2 |
Calculated formula |
C32 H24 N6 O2 |
SMILES |
Nc1ccc(cc1)n1c(nc2c1cc1nc(n(c1c2)c1ccc(cc1)N)c1ccccc1O)c1ccccc1O |
Title of publication |
2,2'-[1,5-Bis(4-aminophenyl)-1,5-dihydrobenzo[1,2-<i>d</i>;4,5-<i>d</i>']diimidazole-2,6-diyl]diphenol |
Authors of publication |
Blagus, Anita; Kaitner, Branko |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
10 |
Pages of publication |
o2666 - o2667 |
a |
6.5181 ± 0.0003 Å |
b |
13.3206 ± 0.0007 Å |
c |
14.3081 ± 0.0007 Å |
α |
90° |
β |
91.68 ± 0.004° |
γ |
90° |
Cell volume |
1241.77 ± 0.11 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.101 |
Residual factor for significantly intense reflections |
0.0528 |
Weighted residual factors for significantly intense reflections |
0.1036 |
Weighted residual factors for all reflections included in the refinement |
0.1234 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2231967.html