Information card for entry 7154520

Structure parameters

• Formula: C44.5 H45 Cl4 N2 Rh
• Calculated formula: C44.5 H42 Cl4 N2 Rh
• Title of publication: Rhodium(iii)-catalyzed cascade oxidative annulation reactions of aryl imidazolium salts with alkynes involving multiple C-H bond activation.
• Authors of publication: Ge, Qingmei; Li, Bin; Song, Haibin; Wang, Baiquan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 28
• Pages of publication: 7695 - 7710
• a: 11.315 ± 0.002 Å
• b: 11.329 ± 0.002 Å
• c: 17.137 ± 0.003 Å
• α: 77.58 ± 0.03°
• β: 83.63 ± 0.03°
• γ: 66.83 ± 0.03°
• Cell volume: 1971.5 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0965
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No