Information card for entry 4513816

Structure parameters

• Formula: C33 H27 F2 N O4
• Calculated formula: C33 H27 F2 N O4
• Title of publication: Rhodium(III)-Catalyzed Annulation betweenN-Sulfinyl Ketoimines and Activated Olefins: C‒H Activation Assisted by an Oxidizing N‒S Bond
• Authors of publication: Wang, Qiang; Li, Yingzi; Qi, Zisong; Xie, Fang; Lan, Yu; Li, Xingwei
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 1971
• a: 7.9794 ± 0.0013 Å
• b: 12.355 ± 0.002 Å
• c: 27.87 ± 0.004 Å
• α: 83.268 ± 0.003°
• β: 84.119 ± 0.003°
• γ: 89.549 ± 0.003°
• Cell volume: 2714.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1885
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.2889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No