Information card for entry 4125275

Structure parameters

• Formula: C32 H52 F N3 O4
• Calculated formula: C32 H52 F N3 O4
• SMILES: C1(=C(C(=O)C1=O)Nc1ccccc1)Nc1ccccc1.O.O.[N+](CCCC)(CCCC)(CCCC)CCCC.[F-]
• Title of publication: Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.
• Authors of publication: Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 40
• Pages of publication: 13314
• a: 22.2441 ± 0.0016 Å
• b: 8.1479 ± 0.0004 Å
• c: 20.0331 ± 0.0017 Å
• α: 90°
• β: 120.67 ± 0.01°
• γ: 90°
• Cell volume: 3123 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0019
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No