Information card for entry 7112306

Structure parameters

• Formula: C38 H45 F6 N3 Si
• Calculated formula: C38 H45 F6 N3 Si
• Title of publication: Metal free and selective activation of one C-F bond in a bound CF3 group.
• Authors of publication: Azhakar, Ramachandran; Roesky, Herbert W.; Wolf, Hilke; Stalke, Dietmar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 1841 - 1843
• a: 16.937 ± 0.006 Å
• b: 20.574 ± 0.006 Å
• c: 10.082 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3513 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108886
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No