Information card for entry 4022977

Structure parameters

• Formula: C23 H32 N2 O5 Si
• Calculated formula: C23 H32 N2 O5 Si
• Title of publication: Electrophilicity of 5-Benzylidene-1,3-dimethylbarbituric and -thiobarbituric Acids
• Authors of publication: Florian Seeliger; Stefan T. A. Berger; Grygoriy Y. Remennikov; Kurt Polborn; Herbert Mayr
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9170 - 9180
• a: 16.913 ± 0.004 Å
• b: 7.8644 ± 0.0011 Å
• c: 18.636 ± 0.002 Å
• α: 90°
• β: 95.354 ± 0.012°
• γ: 90°
• Cell volume: 2468.1 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections: 0.1456
• Weighted residual factors for significantly intense reflections: 0.1242
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No