Information card for entry 2219048

Structure parameters

• Chemical name: 7,11-Bis(4-methylphenyl)-2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5,9-tetraone
• Formula: C21 H20 N4 O4
• Calculated formula: C21 H20 N4 O4
• SMILES: O=C1N[C@H](c2ccc(C)cc2)C2([C@@H](N1)c1ccc(C)cc1)C(=O)NC(=O)NC2=O.O=C1N[C@@H](c2ccc(C)cc2)C2([C@H](N1)c1ccc(C)cc1)C(=O)NC(=O)NC2=O
• Title of publication: 7,11-Bis(4-methylphenyl)-2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5,9-tetraone
• Authors of publication: Astaraki, Ali Mohammad; Bazgir, Ayoob; Faraji, Fereshteh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1555
• a: 8.852 ± 0.002 Å
• b: 12.538 ± 0.003 Å
• c: 17.259 ± 0.004 Å
• α: 90°
• β: 104.483 ± 0.018°
• γ: 90°
• Cell volume: 1854.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes