Information card for entry 1564263

Structure parameters

• Formula: C168 H134 Cl5 N7 O16 Rh2
• Calculated formula: C168 H134 Cl5 N7 O16 Rh2
• Title of publication: Asymmetric synthesis of pharmaceutically relevant 1-aryl-2-heteroaryl- and 1,2-diheteroarylcyclopropane-1-carboxylates
• Authors of publication: Sharland, Jack C.; Wei, Bo; Hardee, David J.; Hodges, Timothy R.; Gong, Wei; Voight, Eric A.; Davies, Huw M. L.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 20.07057 ± 0.00012 Å
• b: 20.40295 ± 0.00011 Å
• c: 41.1384 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16846.1 ± 0.16 ų
• Cell temperature: 99.8 ± 0.8 K
• Ambient diffraction temperature: 99.8 ± 0.8 K
• Number of distinct elements: 6
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No