Information card for entry 7154175

Structure parameters

• Formula: C18 H15 F6 N2 O P
• Calculated formula: C18 H15 F6 N2 O P
• SMILES: [P](F)(F)(F)(F)(F)[F-].c1(ccccc1)O/C(=N\[n+]1ccccc1)c1ccccc1
• Title of publication: Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.
• Authors of publication: Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 751 - 763
• a: 13.927 ± 0.003 Å
• b: 10.771 ± 0.002 Å
• c: 24.361 ± 0.005 Å
• α: 90°
• β: 93.49 ± 0.03°
• γ: 90°
• Cell volume: 3647.6 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No