Information card for entry 7122713

Structure parameters

• Formula: C26 H27 N O3
• Calculated formula: C26 H27 N O3
• 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: 8.6044 ± 0.0017 Å
• b: 8.9346 ± 0.0018 Å
• c: 14.961 ± 0.003 Å
• α: 74.36 ± 0.03°
• β: 88.4 ± 0.03°
• γ: 87.83 ± 0.03°
• Cell volume: 1106.6 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No