Information card for entry 4126645

Structure parameters

• Formula: C40 H50 Co N
• Calculated formula: C40 H50 Co N
• 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: 9.3348 ± 0.0005 Å
• b: 10.9124 ± 0.0005 Å
• c: 17.2615 ± 0.0008 Å
• α: 86.599 ± 0.002°
• β: 75.345 ± 0.002°
• γ: 75.325 ± 0.002°
• Cell volume: 1645.62 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0302
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No