Information card for entry 4038758

Structure parameters

• Formula: C78 H68 O8 Rh2
• Calculated formula: C78 H68 O8 Rh2
• Title of publication: Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.
• Authors of publication: Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 31.5424 ± 0.0007 Å
• b: 8.3838 ± 0.0002 Å
• c: 11.996 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3172.28 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No