Information card for entry 4111866

Structure parameters

• Formula: C9 H8
• Calculated formula: C9 H8
• Title of publication: An Opened Route to 1,3-Dimethylenecyclobutanes via Sequential Ruthenium-Catalyzed [2 + 2] Cycloaddition of Allenyl Boronate and Palladium Suzuki Coupling
• Authors of publication: Emilio Bustelo; Carine Guérot; Alain Hercouet; Bertrand Carboni; Loïc Toupet; Pierre H. Dixneuf
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 11582 - 11583
• a: 7.6184 ± 0.0006 Å
• b: 9.5951 ± 0.0007 Å
• c: 17.0181 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1244.01 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No