Information card for entry 4066441

Structure parameters

• Common name: 9
• Chemical name: 1,3-Bis[((trifluoromethanesulfonato)dimethylsilyl)methyl]-5,5-dimethylpyrimidine-2,4,6-trione
• Formula: C14 H22 F6 N2 O9 S2 Si2
• Calculated formula: C14 H22 F6 N2 O9 S2 Si2
• SMILES: S(=O)(=O)(O[Si]1([O]=C2N(C1)C(=O)N1C(=[O][Si](OS(=O)(=O)C(F)(F)F)(C1)(C)C)C2(C)C)(C)C)C(F)(F)F
• Title of publication: Dinuclear Silicon Complexes of Uracil, Barbituric Acid, and 5,5-Dimethylbarbituric Acid: Hydrolytic Formation of Cyclic Oligomers(1)†
• Authors of publication: Kertsnus-Banchik, Evgenia; Gostevskii, Boris; Botoshansky, Mark; Kalikhman, Inna; Kost, Daniel
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5435
• a: 15.212 ± 0.003 Å
• b: 12.222 ± 0.002 Å
• c: 15.921 ± 0.003 Å
• α: 90°
• β: 117.75 ± 0.003°
• γ: 90°
• Cell volume: 2619.6 ± 0.8 ų
• Cell temperature: 240 ± 1 K
• Ambient diffraction temperature: 240 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1204
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No