Information card for entry 2232301
Chemical name |
1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine- 3',2''-indan]-1,3,1''-trione |
Formula |
C28 H20 F3 N O3 |
Calculated formula |
C28 H20 F3 N O3 |
SMILES |
FC(F)(F)c1ccc([C@H]2CN(C3(C(=O)c4ccccc4C3=O)[C@]32Cc2ccccc2C3=O)C)cc1.FC(F)(F)c1ccc([C@@H]2CN(C3(C(=O)c4ccccc4C3=O)[C@@]32Cc2ccccc2C3=O)C)cc1 |
Title of publication |
1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione |
Authors of publication |
Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Hemamalini, Madhukar; Fun, Hoong-Kun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
11 |
Pages of publication |
o3125 |
a |
7.807 ± 0.0002 Å |
b |
22.0878 ± 0.0005 Å |
c |
13.1278 ± 0.0003 Å |
α |
90° |
β |
101.42 ± 0.002° |
γ |
90° |
Cell volume |
2218.93 ± 0.09 Å3 |
Cell temperature |
100 ± 1 K |
Ambient diffraction temperature |
100 ± 1 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.1336 |
Residual factor for significantly intense reflections |
0.0703 |
Weighted residual factors for significantly intense reflections |
0.1345 |
Weighted residual factors for all reflections included in the refinement |
0.1615 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2232301.html