Information card for entry 1572665

Structure parameters

• Formula: C77 H61 Cu N2 O2
• Calculated formula: C77 H61 Cu N2 O2
• Title of publication: Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
• Authors of publication: Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 33.633 ± 0.003 Å
• b: 12.0225 ± 0.0012 Å
• c: 14.4644 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5848.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No