Information card for entry 2005242

Structure parameters

• Chemical name: 5,5-diethyl-1-methyl-(1H,2H,3H,5H)-hexahydropyrimidine-4,6-dione-2- spiro-9'-fluorene
• Formula: C21 H22 N2 O2
• Calculated formula: C21 H22 N2 O2
• SMILES: CCC1(CC)C(=O)NC2(N(C1=O)C)c1ccccc1c1c2cccc1
• Title of publication: 5,5-Diethyl-1-methyl-1<i>H</i>,2<i>H</i>,3<i>H</i>,5<i>H</i>-pyrimidine-2-spiro-9'-fluorene-4,6-dione
• Authors of publication: Gong, Y.; Robinson, P. D.; Bausch, M. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2081 - 2084
• a: 15.557 ± 0.009 Å
• b: 13.138 ± 0.004 Å
• c: 17.899 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3658 ± 3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No