Information card for entry 2221211
Common name |
dihydropyrazine |
Chemical name |
2-Methyl-3,5,6-triphenyl-2,3-dihydropyrazine |
Formula |
C23 H20 N2 |
Calculated formula |
C23 H20 N2 |
SMILES |
N1=C(C(=N[C@H]([C@@H]1C)c1ccccc1)c1ccccc1)c1ccccc1.N1=C(C(=N[C@@H]([C@H]1C)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication |
2-Methyl-3,5,6-triphenyl-2,3-dihydropyrazine |
Authors of publication |
Anuradha, N.; Thiruvalluvar, A.; Pandiarajan, K.; Chitra, S.; Butcher, R. J. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
3 |
Pages of publication |
o546 |
a |
10.4406 ± 0.001 Å |
b |
10.5753 ± 0.0007 Å |
c |
11.081 ± 0.0013 Å |
α |
93.439 ± 0.008° |
β |
114.161 ± 0.01° |
γ |
118.343 ± 0.009° |
Cell volume |
931.9 ± 0.2 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
293 ± 2 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 |
0.093 |
Residual factor for significantly intense reflections |
0.086 |
Weighted residual factors for significantly intense reflections |
0.26 |
Weighted residual factors for all reflections included in the refinement |
0.27 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.09 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2221211.html