Information card for entry 4129711

Structure parameters

• Formula: C29 H31 F6 Ir N Sb
• Calculated formula: C29 H31 F6 Ir N Sb
• Title of publication: Complete Switch of Selectivity in the C-H Alkenylation and Hydroarylation Catalyzed by Iridium: The Role of Directing Groups.
• Authors of publication: Kim, Jiyu; Park, Sung-Woo; Baik, Mu-Hyun; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 42
• Pages of publication: 13448 - 13451
• a: 9.0649 ± 0.001 Å
• b: 9.4336 ± 0.001 Å
• c: 17.0247 ± 0.0018 Å
• α: 102.421 ± 0.002°
• β: 90.281 ± 0.002°
• γ: 97.364 ± 0.002°
• Cell volume: 1409.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No