Information card for entry 2209868
Chemical name |
5-[(E)-2-(4-Methoxycarbonylphenyl)ethenyl]-1,1,3,3-tetramethylisoindolin- 2-yloxyl |
Formula |
C22 H24 N O3 |
Calculated formula |
C22 H24 N O3 |
SMILES |
COC(=O)c1ccc(cc1)/C=C/c1ccc2c(c1)C(C)(C)[N](C2(C)C)=O |
Title of publication |
5-[(<i>E</i>)-2-(4-Methoxycarbonylphenyl)ethenyl]-1,1,3,3-tetramethylisoindolin-2-yloxyl |
Authors of publication |
Keddie, Daniel J.; Bottle, Steven E.; Clegg, Jack K.; McMurtrie, John C. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
8 |
Pages of publication |
o3535 - o3536 |
a |
11.63 ± 0.0019 Å |
b |
13.432 ± 0.002 Å |
c |
24.407 ± 0.004 Å |
α |
90° |
β |
91.976 ± 0.003° |
γ |
90° |
Cell volume |
3810.5 ± 1 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 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 |
0.0615 |
Residual factor for significantly intense reflections |
0.0423 |
Weighted residual factors for significantly intense reflections |
0.1035 |
Weighted residual factors for all reflections included in the refinement |
0.1144 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
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/2209868.html