Information card for entry 4105920

Structure parameters

• Formula: C36 H53 Bi N2 O2
• Calculated formula: C36 H53 Bi N2 O2
• Title of publication: Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-
• Authors of publication: Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5244 - 5247
• a: 53.677 ± 0.003 Å
• b: 10.8825 ± 0.0006 Å
• c: 39.936 ± 0.003 Å
• α: 90°
• β: 130.678 ± 0.001°
• γ: 90°
• Cell volume: 17691.8 ± 1.9 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No