Information card for entry 1572669

Structure parameters

• Formula: C95.25 H79.51 Cu F2 N2 O
• Calculated formula: C95.248 H79.512 Cu F2 N2 O
• 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: 13.2312 ± 0.0012 Å
• b: 13.3247 ± 0.0012 Å
• c: 23.32 ± 0.002 Å
• α: 86.812 ± 0.003°
• β: 83.797 ± 0.003°
• γ: 63.701 ± 0.003°
• Cell volume: 3664.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No