Information card for entry 4087345

Structure parameters

• Common name: DFP-Me
• Formula: C16 H12 F3 O5 P S
• Calculated formula: C16 H12 F3 O5 P S
• SMILES: S(=O)(=O)(C(F)(F)F)[O-].[P+]1(c2ccoc2c2occc12)(C)c1ccccc1
• Title of publication: Bridged Difurans: Stabilizing Furan with p-Block Elements
• Authors of publication: Cao, Hongda; Brettell-Adams, Ian A.; Qu, Fengrui; Rupar, Paul A.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 14
• Pages of publication: 2565
• a: 12.9262 ± 0.0006 Å
• b: 12.3641 ± 0.0006 Å
• c: 12.7478 ± 0.0006 Å
• α: 90°
• β: 118.667 ± 0.003°
• γ: 90°
• Cell volume: 1787.63 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0923
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No