Information card for entry 4088695

Structure parameters

• Formula: C79 H75 Cl2 N P2 Rh
• Calculated formula: C79 H75 Cl2 N P2 Rh
• Title of publication: C‒H Activation Induced by Oxidative Addition of N‒O Bonds in Oxime Esters: Formation of Rhodacycles and Cycloaddition with Alkynes
• Authors of publication: Shimbayashi, Takuya; Okamoto, Kazuhiro; Ohe, Kouichi
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 2026
• a: 13.788 ± 0.006 Å
• b: 14.476 ± 0.006 Å
• c: 18.584 ± 0.007 Å
• α: 106.5 ± 0.004°
• β: 94.464 ± 0.003°
• γ: 109.53 ± 0.006°
• Cell volume: 3290 ± 2 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 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: 0.1062
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No