Information card for entry 4129448

Structure parameters

• Formula: C33 H61 F O Si
• Calculated formula: C32.9999 H60.9998 F O Si
• Title of publication: Synthesis of Enantioenriched Alkylfluorides by the Fluorination of Boronate Complexes.
• Authors of publication: Sandford, Christopher; Rasappan, Ramesh; Aggarwal, Varinder K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10100 - 10103
• a: 23.0752 ± 0.0008 Å
• b: 6.2109 ± 0.0002 Å
• c: 23.7697 ± 0.0007 Å
• α: 90°
• β: 107.145 ± 0.002°
• γ: 90°
• Cell volume: 3255.24 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No