Information card for entry 4103992

Structure parameters

• Common name: tilley01
• Chemical name: ZL141a
• Formula: C50 H42
• Calculated formula: C50 H42
• Title of publication: Versatile Synthesis of Pentalene Derivatives via the Pd-Catalyzed Homocoupling of Haloenynes
• Authors of publication: Zerubba U. Levi; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2796 - 2797
• a: 21.051 ± 0.002 Å
• b: 19.381 ± 0.002 Å
• c: 9.0189 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3679.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No