Information card for entry 4124181

Structure parameters

• Formula: C46 H40 N O3 P2 Rh
• Calculated formula: C46 H40 N O3 P2 Rh
• SMILES: [Rh]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([O]=C(O1)C)C(=O)N(C)c1c2cccc1
• Title of publication: Rh-Catalyzed Construction of Quinolin-2(1H)-ones via C-H Bond Activation of Simple Anilines with CO and Alkynes.
• Authors of publication: Li, Xinyao; Li, Xinwei; Jiao, Ning
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 29
• Pages of publication: 9246 - 9249
• a: 9.7667 ± 0.0006 Å
• b: 11.1645 ± 0.0007 Å
• c: 19.3961 ± 0.0013 Å
• α: 74.659 ± 0.006°
• β: 83.116 ± 0.005°
• γ: 68.271 ± 0.006°
• Cell volume: 1894.1 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.1553
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No