Information card for entry 4120550

Structure parameters

• Formula: C30 H36 Cl2 F6 N2 O4 Rh S Sb
• Calculated formula: C30 H36 Cl2 F6 N2 O4 Rh S Sb
• Title of publication: Mechanistic studies of the rhodium-catalyzed direct C-h amination reaction using azides as the nitrogen source.
• Authors of publication: Park, Sae Hume; Kwak, Jaesung; Shin, Kwangmin; Ryu, Jaeyune; Park, Yoonsu; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 6
• Pages of publication: 2492 - 2502
• a: 24.728 ± 0.004 Å
• b: 10.6883 ± 0.0016 Å
• c: 28.583 ± 0.004 Å
• α: 90°
• β: 112.307 ± 0.005°
• γ: 90°
• Cell volume: 6989.1 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No