Information card for entry 4135425

Structure parameters

• Formula: C38 H24 F3 N O3 S
• Calculated formula: C38 H24 F3 N O3 S
• Title of publication: Enantioselective Synthesis of Azoniahelicenes by Rh-Catalyzed C‒H Annulation with Alkynes
• Authors of publication: Wang, Qiang; Zhang, Wen-Wen; Zheng, Chao; Gu, Qing; You, Shu-Li
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 9.6576 ± 0.0009 Å
• b: 16.5515 ± 0.0015 Å
• c: 10.2287 ± 0.001 Å
• α: 90°
• β: 109.901 ± 0.003°
• γ: 90°
• Cell volume: 1537.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0875
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No