Information card for entry 4517606

Structure parameters

• Formula: C31 H52 F3 O3 P S
• Calculated formula: C31 H52 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: 7.362 ± 0.0002 Å
• b: 16.8285 ± 0.0003 Å
• c: 25.1572 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3116.76 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No