Information card for entry 1554821

Structure parameters

• Formula: C25 H31 Ag F3 N2 O P
• Calculated formula: C25 H31 Ag F3 N2 O P
• SMILES: [Ag]1([P](c2ccccc2)(C(C)(C)C)C(C)(C)C)([n]2ccccc2c2[n]1cccc2)OC(F)(F)F
• Title of publication: [Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates
• Authors of publication: Chen, Daoqian; Lu, Long; Shen, Qilong
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 1801
• a: 11.3702 ± 0.0003 Å
• b: 12.6386 ± 0.0003 Å
• c: 17.83 ± 0.0005 Å
• α: 90°
• β: 103.361 ± 0.001°
• γ: 90°
• Cell volume: 2492.88 ± 0.11 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: 0.0284
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No