Information card for entry 2231726
Chemical name |
1'-Methyl-4'-phenyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione |
Formula |
C27 H21 N O3 |
Calculated formula |
C27 H21 N O3 |
SMILES |
O=C1C2(N(C[C@H](c3ccccc3)[C@]32C(=O)c2ccccc2C3)C)C(=O)c2c1cccc2.O=C1C2(N(C[C@@H](c3ccccc3)[C@@]32C(=O)c2ccccc2C3)C)C(=O)c2c1cccc2 |
Title of publication |
1'-Methyl-4'-phenyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione |
Authors of publication |
Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Quah, Ching Kheng; Fun, Hoong-Kun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
9 |
Pages of publication |
o2383 |
a |
8.4578 ± 0.0007 Å |
b |
11.6194 ± 0.0009 Å |
c |
22.636 ± 0.0016 Å |
α |
90° |
β |
109.693 ± 0.002° |
γ |
90° |
Cell volume |
2094.4 ± 0.3 Å3 |
Cell temperature |
296 K |
Ambient diffraction temperature |
296 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 |
0.0845 |
Residual factor for significantly intense reflections |
0.052 |
Weighted residual factors for significantly intense reflections |
0.1401 |
Weighted residual factors for all reflections included in the refinement |
0.1631 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
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/2231726.html