Information card for entry 1543237

Structure parameters

• Formula: C40 H26 F3 N O3 S
• Calculated formula: C40 H26 F3 N O3 S
• Title of publication: Synthesis of Conjugated Polycyclic Quinoliniums by Rhodium(III)-Catalyzed Multiple C-H Activation and Annulation of Arylpyridiniums with Alkynes.
• Authors of publication: Ge, Qingmei; Hu, Yang; Li, Bin; Wang, Baiquan
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2483 - 2486
• a: 26.374 ± 0.003 Å
• b: 7.9979 ± 0.0009 Å
• c: 15.0584 ± 0.0018 Å
• α: 90°
• β: 99.855 ± 0.002°
• γ: 90°
• Cell volume: 3129.5 ± 0.6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No