Information card for entry 1554817

Structure parameters

• Formula: C23 H21 N O7 S
• Calculated formula: C23 H21 N O7 S
• SMILES: S(=O)(=O)(O[C@@H](CCOC(=O)c1ccc(cc1)c1ccccc1)C)c1ccc(N(=O)=O)cc1
• 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: 10.6202 ± 0.0004 Å
• b: 6.377 ± 0.0002 Å
• c: 16.3385 ± 0.0006 Å
• α: 90°
• β: 98.252 ± 0.001°
• γ: 90°
• Cell volume: 1095.07 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No