Information card for entry 1574203

Structure parameters

• Formula: C32 H32 F3 O4 P S
• Calculated formula: C32 H32 F3 O4 P S
• SMILES: [P+](C(OC1CCCCC1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Direct synthesis of ethers from alcohols & aldehydes enabled by an oxocarbenium ion interception strategy
• Authors of publication: Curran, Dara T.; Szydło, Marcin; Müller-Bunz, Helge; Nikitin, Kirill; Byrne, Peter A.
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 6991 - 7003
• a: 17.014 ± 0.0002 Å
• b: 9.10342 ± 0.00011 Å
• c: 18.838 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2917.73 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No