Information card for entry 7156623

Structure parameters

• Formula: C27 H29 Br Cl O2 Rh
• Calculated formula: C27 H29 Br Cl O2 Rh
• Title of publication: [Rh^III(Cp*)]-catalyzed arylfluorination of α-diazoketoesters for facile synthesis of α-aryl-α-fluoroketoesters.
• Authors of publication: Ng, Fo-Ning; Chan, Chun-Ming; Li, Jianbin; Sun, Mingzi; Lu, Yin-Suo; Zhou, Zhongyuan; Huang, Bolong; Yu, Wing-Yiu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 1191 - 1201
• a: 8.2888 ± 0.0004 Å
• b: 8.8488 ± 0.0005 Å
• c: 17.556 ± 0.0009 Å
• α: 79.844 ± 0.002°
• β: 81.31 ± 0.001°
• γ: 89.519 ± 0.001°
• Cell volume: 1252.71 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No