Information card for entry 4118672

Structure parameters

• Formula: C83 H46 Cl16
• Calculated formula: C83 H46 Cl16
• Title of publication: Palladium-Catalyzed C-H Activation Taken to the Limit. Flattening an Aromatic Bowl by Total Arylation
• Authors of publication: Qianyan Zhang; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami; Lawrence T. Scott
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15664 - 15667
• a: 16.395 ± 0.003 Å
• b: 28.34 ± 0.005 Å
• c: 16.705 ± 0.004 Å
• α: 90°
• β: 112.733 ± 0.009°
• γ: 90°
• Cell volume: 7159 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1061
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No