Information card for entry 4122639

Structure parameters

• Formula: C18 H17 B Cu F4 N O
• Calculated formula: C18 H17 B Cu F4 N O
• Title of publication: Transient Protection of Strained Alkynes from Click Reaction via Complexation with Copper.
• Authors of publication: Yoshida, Suguru; Hatakeyama, Yasutomo; Johmoto, Kohei; Uekusa, Hidehiro; Hosoya, Takamitsu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 39
• Pages of publication: 13590 - 13593
• a: 8.7109 ± 0.0002 Å
• b: 18.371 ± 0.0003 Å
• c: 13.1898 ± 0.0002 Å
• α: 90°
• β: 122.659 ± 0.001°
• γ: 90°
• Cell volume: 1777.02 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No