Information card for entry 4066440

Structure parameters

• Common name: 5a
• Chemical name: 6[(chlorodimethylsilyl)methyl]-2,2-dimethyl-2H-[1,4,2]oxazasilolo[4,5-c]pyrimidine-5,7(3H,6H)-dione
• Formula: C10 H17 Cl N2 O3 Si2
• Calculated formula: C10 H17 Cl N2 O3 Si2
• SMILES: [Si]1(OC2N(C1)C(=O)N1C(C=2)=[O][Si](Cl)(C1)(C)C)(C)C
• 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: 11.19 ± 0.002 Å
• b: 13.114 ± 0.003 Å
• c: 19.667 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2886 ± 1 ų
• Cell temperature: 240 ± 1 K
• Ambient diffraction temperature: 240 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No