Information card for entry 7238925

Structure parameters

• Formula: C20 H25 N O5 S
• Calculated formula: C20 H25 N O5 S
• Title of publication: Accessing bridged bicyclic compounds or meta carbon-functionalized anilines from the dearomatization of anilines
• Authors of publication: Wang, Linfei; Wang, Shuo-En; Wang, Weibin; Fan, Renhua
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 17
• Pages of publication: 5775
• a: 11.849 ± 0.006 Å
• b: 7.997 ± 0.004 Å
• c: 20.87 ± 0.01 Å
• α: 90°
• β: 100.374 ± 0.006°
• γ: 90°
• Cell volume: 1945.2 ± 1.7 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: 0.0587
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No