Information card for entry 4106479

Structure parameters

• Formula: C36 H48 Cl4 F2 N2 O2
• Calculated formula: C36 H48 Cl4 F2 N2 O2
• Title of publication: Deoxyfluorination of Phenols
• Authors of publication: Pingping Tang; Weike Wang; Tobias Ritter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11482 - 11484
• a: 12.3348 ± 0.0009 Å
• b: 13.9342 ± 0.0011 Å
• c: 22.0311 ± 0.0017 Å
• α: 90°
• β: 101.403 ± 0.001°
• γ: 90°
• Cell volume: 3711.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No