Information card for entry 1554820

Structure parameters

• Formula: C31 H41 Ag F6 N4 P2
• Calculated formula: C31 H41 Ag F6 N4 P2
• SMILES: [Ag]1([P](C(C)(C)C)(C(C)(C)C)c2ccccc2)([n]2ccccc2c2[n]1cccc2)[n]1ccc(N(C)C)cc1.[P](F)(F)(F)(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: 12.7111 ± 0.0004 Å
• b: 17.36 ± 0.0006 Å
• c: 15.7081 ± 0.0005 Å
• α: 90°
• β: 105.588 ± 0.001°
• γ: 90°
• Cell volume: 3338.73 ± 0.19 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.02 K
• Number of distinct elements: 6
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No