Information card for entry 4105230

Structure parameters

• Formula: C36 H46 Cl N O2 P Rh Si2
• Calculated formula: C36 H46 Cl N O2 P Rh Si2
• SMILES: c12c(c3c(c(cc4c3cccc4)[Si](C)(C)C)O[P](N(C)C)(O2)[Rh]234([CH]5=[CH]2CC[CH]4=[CH]3CC5)Cl)c2c(cc1[Si](C)(C)C)cccc2
• Title of publication: Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity
• Authors of publication: Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15717 - 15728
• a: 11.2417 ± 0.0005 Å
• b: 14.6792 ± 0.0006 Å
• c: 21.3614 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3525 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No