Information card for entry 4038759

Structure parameters

• Formula: C72 H64 N4 O8 Rh2
• Calculated formula: C72 H64 N4 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: 9.896 ± 0.0002 Å
• b: 21.172 ± 0.0004 Å
• c: 14.8082 ± 0.0003 Å
• α: 90°
• β: 100.901 ± 0.002°
• γ: 90°
• Cell volume: 3046.6 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No