Information card for entry 2204954
Chemical name |
3-Bromo-1,4-diphenyl-1,2,7,9-tetraazaspiro[5.4]dec-2-ene-6,8,10-trione acetone solvate |
Formula |
C20 H19 Br N4 O4 |
Calculated formula |
C20 H19 Br N4 O4 |
SMILES |
BrC1=NN(C2(C(=O)NC(=O)NC2=O)C1c1ccccc1)c1ccccc1.OCC |
Title of publication |
3-Bromo-1,4-diphenyl-1,2,7,9-tetraazaspiro[5.4]dec-2-ene-6,8,10-trione acetone solvate |
Authors of publication |
Bruno, Giuseppe; Rotondo, Archimede; Nicoló, Francesco; Foti, Francesco; Grassi, Giovanni; Risitano, Francesco |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
1 |
Pages of publication |
o142 - o144 |
a |
12.027 ± 0.004 Å |
b |
13.38 ± 0.005 Å |
c |
13.416 ± 0.003 Å |
α |
71.32 ± 0.03° |
β |
86.159 ± 0.013° |
γ |
87.84 ± 0.03° |
Cell volume |
2040.3 ± 1.2 Å3 |
Cell temperature |
571 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for significantly intense reflections |
0.056 |
Weighted residual factors for all reflections included in the refinement |
0.1413 |
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 |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2204954.html