Information card for entry 2204953

Structure parameters

• 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 ų
• 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