Information card for entry 2238896

Structure parameters

• Chemical name: 4-[(<i>tert</i>-Butyldiphenylsilyloxy)methyl]pyridazin-3(2<i>H</i>)-one
• Formula: C21 H24 N2 O2 Si
• Calculated formula: C21 H24 N2 O2 Si
• SMILES: [Si](OCc1c(=O)[nH]ncc1)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: 4-[(<i>tert</i>-Butyldiphenylsilyloxy)methyl]pyridazin-3(2<i>H</i>)-one
• Authors of publication: Costas-Lago, María Carmen; Costas, Tamara; Vila, Noemí; Besada, Pedro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1859 - o1860
• a: 10.774 ± 0.004 Å
• b: 7.988 ± 0.003 Å
• c: 24.681 ± 0.01 Å
• α: 90°
• β: 100.207 ± 0.007°
• γ: 90°
• Cell volume: 2090.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No