Information card for entry 2208288
Chemical name |
1-Acetyl-3,3-bis[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-indolin-2(3H)-one |
Formula |
C30 H25 N5 O4 |
Calculated formula |
C30 H25 N5 O4 |
SMILES |
o1nc(nc1CC1(C(=O)N(c2ccccc12)C(=O)C)Cc1onc(n1)c1c(C)cccc1)c1ccccc1C |
Title of publication |
1-Acetyl-3,3-bis[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1<i>H</i>-indolin-2(3<i>H</i>)-one |
Authors of publication |
Yan, Xiao-Chen; Wang, Hai-Bo; Liu, Zhi-Qian |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
3 |
Pages of publication |
o917 - o918 |
a |
11.68 ± 0.002 Å |
b |
12.234 ± 0.002 Å |
c |
18.396 ± 0.004 Å |
α |
90° |
β |
93.85 ± 0.03° |
γ |
90° |
Cell volume |
2622.7 ± 0.8 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.1291 |
Residual factor for significantly intense reflections |
0.0668 |
Weighted residual factors for significantly intense reflections |
0.1444 |
Weighted residual factors for all reflections included in the refinement |
0.1719 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.061 |
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/2208288.html