Information card for entry 7122714

Structure parameters

• Formula: C26 H27 N O4
• Calculated formula: C26 H27 N O4
• Title of publication: Rhodium(III) vs. Cobalt(III): Mechanistically Distinct Three-Component C–H Bond Addition Cascade using Cp*RhIII Catalyst
• Authors of publication: Li, Ruirui; Ju, Cheng-Wei; Zhao, Dongbing
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 11.119 ± 0.002 Å
• b: 17.001 ± 0.003 Å
• c: 12.332 ± 0.003 Å
• α: 90°
• β: 104.44 ± 0.03°
• γ: 90°
• Cell volume: 2257.5 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No