Information card for entry 4082025

Structure parameters

• Formula: C28 H27 Cu F2 N4 O
• Calculated formula: C28 H27 Cu F2 N4 O
• Title of publication: Efficient SN2 Fluorination of Primary and Secondary Alkyl Bromides by Copper(I) Fluoride Complexes
• Authors of publication: Liu, Yanpin; Chen, Chaohuang; Li, Huaifeng; Huang, Kuo-Wei; Tan, Jianwei; Weng, Zhiqiang
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6587
• a: 18.2092 ± 0.0013 Å
• b: 11.3656 ± 0.0008 Å
• c: 12.8405 ± 0.0009 Å
• α: 90°
• β: 114.352 ± 0.002°
• γ: 90°
• Cell volume: 2421 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No