Information card for entry 2230104
Chemical name |
2,6-Bis[(<i>S</i>)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine |
Formula |
C25 H23 N3 O2 |
Calculated formula |
C25 H23 N3 O2 |
SMILES |
C1[C@H](Cc2ccccc2)N=C(c2cccc(C3=N[C@H](CO3)Cc3ccccc3)n2)O1 |
Title of publication |
2,6-Bis[(<i>S</i>)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine |
Authors of publication |
Möller, Konstanze; Junge, Kathrin; Spannenberg, Anke; Beller, Matthias |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
5 |
Pages of publication |
o1181 |
a |
7.0184 ± 0.0002 Å |
b |
13.2654 ± 0.0003 Å |
c |
21.5542 ± 0.0008 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2006.74 ± 0.1 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0412 |
Residual factor for significantly intense reflections |
0.0293 |
Weighted residual factors for significantly intense reflections |
0.0517 |
Weighted residual factors for all reflections included in the refinement |
0.0534 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.855 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2230104.html