Information card for entry 7132067

Structure parameters

• Formula: C16 H9 F6 N
• Calculated formula: C16 H9 F6 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: 11.2311 ± 0.0005 Å
• b: 9.9935 ± 0.0003 Å
• c: 13.5768 ± 0.0006 Å
• α: 90°
• β: 113.826 ± 0.005°
• γ: 90°
• Cell volume: 1393.97 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No