Information card for entry 2229024

Structure parameters

• Chemical name: 2,6-Bis(tosyloxymethyl)pyridine
• Formula: C21 H21 N O6 S2
• Calculated formula: C21 H21 N O6 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)OCc1cccc(n1)COS(=O)(=O)c1ccc(cc1)C
• Title of publication: 2,6-Bis(tosyloxymethyl)pyridine
• Authors of publication: Komarsamy, Lynette; Bala, Muhammad D.; Friedrich, Holger B.; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o302
• a: 21.032 ± 0.003 Å
• b: 6.2243 ± 0.001 Å
• c: 15.405 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2016.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes