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Information card for entry 2204953
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| Coordinates | 2204953.cif |
|---|---|
| Structure factors | 2204953.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(4-Methoxyphenyl)-3-phenyl-2,4,8,10-tetraazaspiro[5.4]dec-1-ene-6,8,10-trione acetone solvate monohydrate |
|---|---|
| Formula | C22 H24 N4 O6 |
| Calculated formula | C22 H24 N4 O6 |
| SMILES | O=C1NC(=O)NC(=O)C21C=NN(C2c1ccc(cc1)OC)c1ccccc1.O.O=C(C)C |
| Title of publication | 4-(4-Methoxyphenyl)-3-phenyl-2,4,8,10-tetraazaspiro[5.4]dec-1-ene-6,8,10-trione acetone solvate monohydrate |
| 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 | o139 - o141 |
| a | 6.1539 ± 0.001 Å |
| b | 10.7908 ± 0.0017 Å |
| c | 34.057 ± 0.006 Å |
| α | 90° |
| β | 94.504 ± 0.014° |
| γ | 90° |
| Cell volume | 2254.6 ± 0.6 Å3 |
| Cell 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 significantly intense reflections | 0.0553 |
| Weighted residual factors for all reflections included in the refinement | 0.17 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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