Information card for entry 7133220

Structure parameters

• Formula: C27 H38 N2 O5 S Si
• Calculated formula: C27 H38 N2 O5 S Si
• Title of publication: Enantioselective synthesis of C3-functionalized 2,1-benzothiazine 2,2-dioxides by N-heterocyclic carbene catalysis.
• Authors of publication: Mroczyńska, Karina; Dobrzańska, Liliana; Rafiński, Zbigniew
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 56
• Pages of publication: 7176 - 7179
• a: 8.956 ± 0.0001 Å
• b: 12.4093 ± 0.0001 Å
• c: 12.9018 ± 0.0001 Å
• α: 90°
• β: 95.349 ± 0.001°
• γ: 90°
• Cell volume: 1427.63 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No