Information card for entry 7212908

Structure parameters

• Formula: C26 H26 F2 N2 O6 S
• Calculated formula: C26 H26 F2 N2 O6 S
• Title of publication: New multicomponent domino reactions (MDRs) in water: highly chemo-, regio- and stereoselective synthesis of spiro{[1,3]dioxanopyridine}-4,6-diones and pyrazolo[3,4-b]pyridines
• Authors of publication: Ma, Ning; Jiang, Bo; Zhang, Ge; Tu, Shu-Jiang; Wever, Walter; Li, Guigen
• Journal of publication: Green Chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1357
• a: 14.6241 ± 0.0013 Å
• b: 20.681 ± 0.002 Å
• c: 8.745 ± 0.0011 Å
• α: 90°
• β: 90.538 ± 0.001°
• γ: 90°
• Cell volume: 2644.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.2589
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No