Information card for entry 4131708

Structure parameters

• Formula: C49 H41 Br2 F N3 O2 Rh S2
• Calculated formula: C49 H41 Br2 F N3 O2 Rh S2
• Title of publication: Visible-Light-Activated Asymmetric β-C-H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds.
• Authors of publication: Ma, Jiajia; Rosales, Anthony R.; Huang, Xiaoqiang; Harms, Klaus; Riedel, Radostan; Wiest, Olaf; Meggers, Eric
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 48
• Pages of publication: 17245 - 17248
• a: 12.8614 ± 0.0001 Å
• b: 17.9146 ± 0.0002 Å
• c: 18.8871 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4351.72 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No