Information card for entry 2204537
Chemical name |
2-Benzoylspiro[1H-isoindole-1,3'-isochromene]-1',3,4'(2H,3'H)-trione |
Formula |
C23 H13 N O5 |
Calculated formula |
C23 H13 N O5 |
SMILES |
O=C1OC2(c3ccccc3C(=O)N2C(=O)c2ccccc2)C(=O)c2c1cccc2 |
Title of publication |
2-Benzoylspiro[1<i>H</i>-isoindole-1,3'-isochromene]-1',3,4'(2<i>H</i>,3'<i>H</i>)-trione |
Authors of publication |
McSweeney, Nigel; Pratt, Albert C.; Creaven, Bernadette S.; Long, Conor; Howie, R. Alan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
11 |
Pages of publication |
o2025 - o2028 |
a |
11.04 ± 0.007 Å |
b |
11.782 ± 0.007 Å |
c |
14.363 ± 0.009 Å |
α |
90° |
β |
105.76 ± 0.04° |
γ |
90° |
Cell volume |
1798 ± 2 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 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 |
0.1801 |
Residual factor for significantly intense reflections |
0.0873 |
Weighted residual factors for significantly intense reflections |
0.1392 |
Weighted residual factors for all reflections included in the refinement |
0.1677 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2204537.html