Information card for entry 4517605

Structure parameters

• Formula: C13 H28 F3 O3 P S
• Calculated formula: C13 H28 F3 O3 P S
• Title of publication: Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates
• Authors of publication: Barber, Thomas; Argent, Stephen P.; Ball, Liam T.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 5454 - 5461
• a: 8.8317 ± 0.0004 Å
• b: 22.6453 ± 0.0009 Å
• c: 9.2451 ± 0.0006 Å
• α: 90°
• β: 106.967 ± 0.006°
• γ: 90°
• Cell volume: 1768.51 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No