Information card for entry 7132068

Structure parameters

• Formula: C17 H9 F8 N
• Calculated formula: C17 H9 F8 N
• Title of publication: Difluoromethylene Insertion into Fluoroalkyl Copper Complexes
• Authors of publication: Zhou, Yuyang; Doi, Ryohei; Ogoshi, Sensuke
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 22.915 ± 0.0017 Å
• b: 5.08 ± 0.0003 Å
• c: 27.5806 ± 0.0019 Å
• α: 90°
• β: 106.035 ± 0.007°
• γ: 90°
• Cell volume: 3085.7 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No