Information card for entry 4126643

Structure parameters

• Formula: C43 H50 F6 N Sb
• Calculated formula: C43 H50 F6 N Sb
• Title of publication: A Crystalline Monomeric Allenyl/Propargyl Radical.
• Authors of publication: Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 13.4623 ± 0.0005 Å
• b: 23.1356 ± 0.0007 Å
• c: 14.0612 ± 0.0005 Å
• α: 90°
• β: 94.923 ± 0.002°
• γ: 90°
• Cell volume: 4363.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No