Information card for entry 2240888
Chemical name |
4'-{4-[(2,2,5,5-Tetramethyl-<i>N</i>-oxyl-3-pyrrolin-3-yl)ethynyl]phenyl}-2,2':6',2''-terpyridine |
Formula |
C31 H27 N4 O |
Calculated formula |
C31 H27 N4 O |
SMILES |
O=[N]1C(C(=CC1(C)C)C#Cc1ccc(c2cc(nc(c2)c2ncccc2)c2ncccc2)cc1)(C)C |
Title of publication |
The crystal structure of 4'-{4-[(2,2,5,5-tetramethyl-<i>N</i>-oxyl-3-pyrrolin-3-yl)ethynyl]phenyl}-2,2':6',2''-terpyridine |
Authors of publication |
Meyer, Andreas; Wiecek, Jennifer; Schnakenburg, Gregor; Schiemann, Olav |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
7 |
Pages of publication |
870 - 874 |
a |
18.5666 ± 0.0008 Å |
b |
20.2009 ± 0.0009 Å |
c |
6.7749 ± 0.0002 Å |
α |
90° |
β |
92.743 ± 0.003° |
γ |
90° |
Cell volume |
2538.1 ± 0.17 Å3 |
Cell temperature |
123 K |
Ambient diffraction temperature |
123 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 |
0.1317 |
Residual factor for significantly intense reflections |
0.0492 |
Weighted residual factors for significantly intense reflections |
0.1022 |
Weighted residual factors for all reflections included in the refinement |
0.122 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.888 |
Diffraction radiation wavelength |
0.71073 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/2240888.html