Information card for entry 2208414
Chemical name |
2-[2,2,6,6-Tetramethyl-5-(2-pyridyl)hepta-3,4-dien-3-yl]pyridine |
Formula |
C23 H30 N2 |
Calculated formula |
C23 H30 N2 |
SMILES |
n1c(cccc1C)C(=C=C(c1nc(ccc1)C)C(C)(C)C)C(C)(C)C |
Title of publication |
6-Methyl-2-[2,2,6,6-tetramethyl-5-(2-pyridyl)hepta-3,4-dien-3-yl]pyridine |
Authors of publication |
Averbeck, Jan; Schürmann, Markus; Preut, Hans; Krause, Norbert |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
3 |
Pages of publication |
o951 - o952 |
a |
9.6201 ± 0.0008 Å |
b |
10.4931 ± 0.0012 Å |
c |
11.1713 ± 0.0011 Å |
α |
90.172 ± 0.006° |
β |
110.536 ± 0.006° |
γ |
97.963 ± 0.006° |
Cell volume |
1044.22 ± 0.19 Å3 |
Cell temperature |
291 ± 1 K |
Ambient diffraction temperature |
291 ± 1 K |
Number of distinct elements |
3 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.1077 |
Residual factor for significantly intense reflections |
0.0433 |
Weighted residual factors for significantly intense reflections |
0.1025 |
Weighted residual factors for all reflections included in the refinement |
0.1097 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.122 |
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/2208414.html