Information card for entry 7124062

Structure parameters

• Formula: C28 H21 F3 O5
• Calculated formula: C28 H21 F3 O5
• Title of publication: Rhodium-catalyzed arylative cyclization of alkynyl malonates by 1,4-rhodium(I) migration
• Authors of publication: O'Brien, Luke; Karad, Somnath Narayan; Lewis, William; Lam, Hon Wai
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.9782 ± 0.0002 Å
• b: 10.9927 ± 0.0002 Å
• c: 11.6441 ± 0.0002 Å
• α: 97.3475 ± 0.0016°
• β: 91.005 ± 0.0017°
• γ: 112.494 ± 0.002°
• Cell volume: 1167.27 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No