Information card for entry 2238845

Structure parameters

• Chemical name: 5-[(<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](OCc1cc(=O)[nH]nc1)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: 5-[(<i>tert</i>-Butyldiphenylsilyloxy)methyl]pyridazin-3(2<i>H</i>)-one
• Authors of publication: Costas-Lago, María Carmen; Costas, Tamara; Vila, Noemí; Terán, Carmen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1826 - o1827
• a: 7.9844 ± 0.001 Å
• b: 14.1416 ± 0.0017 Å
• c: 18.553 ± 0.002 Å
• α: 90°
• β: 98.158 ± 0.002°
• γ: 90°
• Cell volume: 2073.7 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No