Information card for entry 4102580

Structure parameters

• Formula: C30 H28 Cl2 F6 O6 Pd2
• Calculated formula: C30 H28 Cl2 F6 O6 Pd2
• Title of publication: Synthesis of Phenanthrone Derivatives from sec-Alkyl Aryl Ketones and Aryl Halides via a Palladium-Catalyzed Dual C-H Bond Activation and Enolate Cyclization
• Authors of publication: Parthasarathy Gandeepan; Kanniyappan Parthasarathy; Chien-Hong Cheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8569 - 8571
• a: 22.0889 ± 0.0004 Å
• b: 22.0889 ± 0.0004 Å
• c: 13.8862 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6775.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No