Information card for entry 4132944

Structure parameters

• Formula: C182 H131 Br8 Cl8 N3 O17 Rh4
• Calculated formula: C182 H131 Br8 Cl8 N3 O17 Rh4
• Title of publication: Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.
• Authors of publication: Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 38
• Pages of publication: 12247 - 12255
• a: 21.469 ± 0.0003 Å
• b: 17.1974 ± 0.0003 Å
• c: 29.1637 ± 0.0004 Å
• α: 90°
• β: 106.965 ± 0.002°
• γ: 90°
• Cell volume: 10299 ± 0.3 ų
• Cell temperature: 100.3 ± 0.5 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2229
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No